(6S)-1'-iodospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine

C10H14IN3S — CID 167307383

IUPAC(6S)-1'-iodospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine
SMILESN[C@@H]1c2scnc2CC12CCN(I)CC2
InChIInChI=1S/C10H14IN3S/c11-14-3-1-10(2-4-14)5-7-8(9(10)12)15-6-13-7/h6,9H,1-5,12H2/t9-/m1/s1
InChIKeyXKEBJBGKFFCFOU-SECBINFHSA-N
MW335.21 g/mol
LogP2.13
Rot. Bonds

About (6S)-1'-iodospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine

(6S)-1'-iodospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine (PubChem CID 167307383) has the molecular formula C10H14IN3S and a molecular weight of 335.21 g/mol. Its IUPAC name is (6S)-1'-iodospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine.

Molecular Properties

Compound Name(6S)-1'-iodospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine
PubChem CID167307383
Molecular FormulaC10H14IN3S
Molecular Weight335.21 g/mol
Exact Mass335.00
IUPAC Name(6S)-1'-iodospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine
SMILESN[C@@H]1c2scnc2CC12CCN(I)CC2
InChIInChI=1S/C10H14IN3S/c11-14-3-1-10(2-4-14)5-7-8(9(10)12)15-6-13-7/h6,9H,1-5,12H2/t9-/m1/s1
InChIKeyXKEBJBGKFFCFOU-SECBINFHSA-N
XLogP2.13
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.21
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6S)-1'-iodospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine?
The IUPAC name of (6S)-1'-iodospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine (CID 167307383) is (6S)-1'-iodospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine.
What is the SMILES notation for (6S)-1'-iodospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine?
The canonical SMILES for (6S)-1'-iodospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine is N[C@@H]1c2scnc2CC12CCN(I)CC2.
What is the InChIKey of (6S)-1'-iodospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine?
The InChIKey is XKEBJBGKFFCFOU-SECBINFHSA-N. The full InChI is InChI=1S/C10H14IN3S/c11-14-3-1-10(2-4-14)5-7-8(9(10)12)15-6-13-7/h6,9H,1-5,12H2/t9-/m1/s1.
What are the key properties of (6S)-1'-iodospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine?
(6S)-1'-iodospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine has a molecular weight of 335.21 g/mol, XLogP of 2.13, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-1'-iodospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-amine is sourced from PubChem (CID 167307383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).