tert-butyl-[[(6S)-2-(dimethylamino)spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]amino]-oxidosulfanium

C16H28N4OS2 — CID 175230816

IUPACtert-butyl-[[(6S)-2-(dimethylamino)spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]amino]-oxidosulfanium
SMILESCN(C)c1nc2c(s1)[C@@H](N[S+]([O-])C(C)(C)C)C1(CCNCC1)C2
InChIInChI=1S/C16H28N4OS2/c1-15(2,3)23(21)19-13-12-11(18-14(22-12)20(4)5)10-16(13)6-8-17-9-7-16/h13,17,19H,6-10H2,1-5H3/t13-,23?/m1/s1
InChIKeyBKWKNAHADPLSAP-JHQYKTOJSA-N
MW356.56 g/mol
LogP2.23
Rot. Bonds3

About tert-butyl-[[(6S)-2-(dimethylamino)spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]amino]-oxidosulfanium

tert-butyl-[[(6S)-2-(dimethylamino)spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]amino]-oxidosulfanium (PubChem CID 175230816) has the molecular formula C16H28N4OS2 and a molecular weight of 356.56 g/mol. Its IUPAC name is tert-butyl-[[(6S)-2-(dimethylamino)spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]amino]-oxidosulfanium.

Molecular Properties

Compound Nametert-butyl-[[(6S)-2-(dimethylamino)spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]amino]-oxidosulfanium
PubChem CID175230816
Molecular FormulaC16H28N4OS2
Molecular Weight356.56 g/mol
Exact Mass356.17
IUPAC Nametert-butyl-[[(6S)-2-(dimethylamino)spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]amino]-oxidosulfanium
SMILESCN(C)c1nc2c(s1)[C@@H](N[S+]([O-])C(C)(C)C)C1(CCNCC1)C2
InChIInChI=1S/C16H28N4OS2/c1-15(2,3)23(21)19-13-12-11(18-14(22-12)20(4)5)10-16(13)6-8-17-9-7-16/h13,17,19H,6-10H2,1-5H3/t13-,23?/m1/s1
InChIKeyBKWKNAHADPLSAP-JHQYKTOJSA-N
XLogP2.23
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.56
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Related Compounds

(6S)-2-(3-fluoroazetidin-1-yl)-1'-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine
CID 167047830
(6S)-2-(3-fluoroazetidin-1-yl)-5,5-dimethyl-4,6-dihydrocyclopenta[d][1,3]thiazol-6-amine
CID 167047896
tert-butyl-[[(6S)-2-(difluoromethyl)spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]amino]-oxidosulfanium
CID 175736614
(R)-2-methyl-N-[(6S)-spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]propane-2-sulfinamide
CID 151205866
(R)-N-[(6S)-2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]-2-methylpropane-2-sulfinamide
CID 153560315
(6S)-2-methyl-1'-propan-2-ylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine
CID 155187107
(R)-N-[(6S)-2-ethoxyspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]-2-methylpropane-2-sulfinamide
CID 162383105
(S)-2-methyl-N-[(6S)-spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]propane-2-sulfinamide
CID 163806211
(S)-2-methyl-N-[(6R)-spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]propane-2-sulfinamide
CID 166465070
(S)-N-[(6R)-2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]-2-methylpropane-2-sulfinamide
CID 166465157
2-methyl-N-[(6S)-spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]propane-2-sulfinamide
CID 166848439
N-[(6S)-2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]-2-methylpropane-2-sulfinamide
CID 166848488

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(6S)-2-(dimethylamino)spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]amino]-oxidosulfanium?
The IUPAC name of tert-butyl-[[(6S)-2-(dimethylamino)spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]amino]-oxidosulfanium (CID 175230816) is tert-butyl-[[(6S)-2-(dimethylamino)spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]amino]-oxidosulfanium.
What is the SMILES notation for tert-butyl-[[(6S)-2-(dimethylamino)spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]amino]-oxidosulfanium?
The canonical SMILES for tert-butyl-[[(6S)-2-(dimethylamino)spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]amino]-oxidosulfanium is CN(C)c1nc2c(s1)[C@@H](N[S+]([O-])C(C)(C)C)C1(CCNCC1)C2.
What is the InChIKey of tert-butyl-[[(6S)-2-(dimethylamino)spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]amino]-oxidosulfanium?
The InChIKey is BKWKNAHADPLSAP-JHQYKTOJSA-N. The full InChI is InChI=1S/C16H28N4OS2/c1-15(2,3)23(21)19-13-12-11(18-14(22-12)20(4)5)10-16(13)6-8-17-9-7-16/h13,17,19H,6-10H2,1-5H3/t13-,23?/m1/s1.
What are the key properties of tert-butyl-[[(6S)-2-(dimethylamino)spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]amino]-oxidosulfanium?
tert-butyl-[[(6S)-2-(dimethylamino)spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]amino]-oxidosulfanium has a molecular weight of 356.56 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(6S)-2-(dimethylamino)spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]amino]-oxidosulfanium is sourced from PubChem (CID 175230816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).