tert-butyl-[[(3R)-6,6-difluorohexan-3-yl]amino]-oxidosulfanium

C10H21F2NOS — CID 174013313

IUPACtert-butyl-[[(3R)-6,6-difluorohexan-3-yl]amino]-oxidosulfanium
SMILESCC[C@H](CCC(F)F)N[S+]([O-])C(C)(C)C
InChIInChI=1S/C10H21F2NOS/c1-5-8(6-7-9(11)12)13-15(14)10(2,3)4/h8-9,13H,5-7H2,1-4H3/t8-,15?/m1/s1
InChIKeyRPVSFTNXZCFLDX-ARAKYBCZSA-N
MW241.35 g/mol
LogP2.86
Rot. Bonds6

About tert-butyl-[[(3R)-6,6-difluorohexan-3-yl]amino]-oxidosulfanium

tert-butyl-[[(3R)-6,6-difluorohexan-3-yl]amino]-oxidosulfanium (PubChem CID 174013313) has the molecular formula C10H21F2NOS and a molecular weight of 241.35 g/mol. Its IUPAC name is tert-butyl-[[(3R)-6,6-difluorohexan-3-yl]amino]-oxidosulfanium.

Molecular Properties

Compound Nametert-butyl-[[(3R)-6,6-difluorohexan-3-yl]amino]-oxidosulfanium
PubChem CID174013313
Molecular FormulaC10H21F2NOS
Molecular Weight241.35 g/mol
Exact Mass241.13
IUPAC Nametert-butyl-[[(3R)-6,6-difluorohexan-3-yl]amino]-oxidosulfanium
SMILESCC[C@H](CCC(F)F)N[S+]([O-])C(C)(C)C
InChIInChI=1S/C10H21F2NOS/c1-5-8(6-7-9(11)12)13-15(14)10(2,3)4/h8-9,13H,5-7H2,1-4H3/t8-,15?/m1/s1
InChIKeyRPVSFTNXZCFLDX-ARAKYBCZSA-N
XLogP2.86
TPSA35.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.35
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[(2S)-1,1,1-trifluorodecan-2-yl]propane-2-sulfinamide
CID 102258354
2-methyl-N-[(2R)-1,1,1-trifluorodecan-2-yl]propane-2-sulfinamide
CID 102258356
(S)-N-((R)-1-cyclopropyl-2,2,2-trifluoroethyl)-2-methylpropane-2-sulfinamide
CID 56595193
(R)-N-((S)-1-Cyclopropyl-2,2,2-trifluoroethyl)-2-methylpropane-2-sulfinamide
CID 56595194
N-(1-cyclopropyl-2,2-difluoroethyl)-2-methylpropane-2-sulfinamide
CID 59543142
N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide
CID 68669501
C9H16F3Nos
CID 76371182
(S)-2-methyl-N-[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]propane-2-sulfinamide
CID 87159547
(R)-2-methyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]propane-2-sulfinamide
CID 87159616
(R)-2-methyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)propane-2-sulfinamide
CID 87159671
(R)-N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide
CID 118440741
(R)-N-[(1S)-1-cyclopropyl-2,2-difluoroethyl]-2-methylpropane-2-sulfinamide
CID 124134089

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(3R)-6,6-difluorohexan-3-yl]amino]-oxidosulfanium?
The IUPAC name of tert-butyl-[[(3R)-6,6-difluorohexan-3-yl]amino]-oxidosulfanium (CID 174013313) is tert-butyl-[[(3R)-6,6-difluorohexan-3-yl]amino]-oxidosulfanium.
What is the SMILES notation for tert-butyl-[[(3R)-6,6-difluorohexan-3-yl]amino]-oxidosulfanium?
The canonical SMILES for tert-butyl-[[(3R)-6,6-difluorohexan-3-yl]amino]-oxidosulfanium is CC[C@H](CCC(F)F)N[S+]([O-])C(C)(C)C.
What is the InChIKey of tert-butyl-[[(3R)-6,6-difluorohexan-3-yl]amino]-oxidosulfanium?
The InChIKey is RPVSFTNXZCFLDX-ARAKYBCZSA-N. The full InChI is InChI=1S/C10H21F2NOS/c1-5-8(6-7-9(11)12)13-15(14)10(2,3)4/h8-9,13H,5-7H2,1-4H3/t8-,15?/m1/s1.
What are the key properties of tert-butyl-[[(3R)-6,6-difluorohexan-3-yl]amino]-oxidosulfanium?
tert-butyl-[[(3R)-6,6-difluorohexan-3-yl]amino]-oxidosulfanium has a molecular weight of 241.35 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(3R)-6,6-difluorohexan-3-yl]amino]-oxidosulfanium is sourced from PubChem (CID 174013313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).