(S)-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]propane-2-sulfinamide

C11H20F3NOS — CID 45378752

IUPAC(S)-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]propane-2-sulfinamide
SMILESCC(C)[S@](=O)N[C@@H](C1CCCCC1)C(F)(F)F
InChIInChI=1S/C11H20F3NOS/c1-8(2)17(16)15-10(11(12,13)14)9-6-4-3-5-7-9/h8-10,15H,3-7H2,1-2H3/t10-,17-/m0/s1
InChIKeyKJXLWLUYZAHPCU-BTDLBPIBSA-N
MW271.35 g/mol
LogP3.16
Rot. Bonds4

About (S)-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]propane-2-sulfinamide

(S)-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]propane-2-sulfinamide (PubChem CID 45378752) has the molecular formula C11H20F3NOS and a molecular weight of 271.35 g/mol. Its IUPAC name is (S)-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]propane-2-sulfinamide.

Molecular Properties

Compound Name(S)-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]propane-2-sulfinamide
PubChem CID45378752
Molecular FormulaC11H20F3NOS
Molecular Weight271.35 g/mol
Exact Mass271.12
IUPAC Name(S)-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]propane-2-sulfinamide
SMILESCC(C)[S@](=O)N[C@@H](C1CCCCC1)C(F)(F)F
InChIInChI=1S/C11H20F3NOS/c1-8(2)17(16)15-10(11(12,13)14)9-6-4-3-5-7-9/h8-10,15H,3-7H2,1-2H3/t10-,17-/m0/s1
InChIKeyKJXLWLUYZAHPCU-BTDLBPIBSA-N
XLogP3.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (S)-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]propane-2-sulfinamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(R)-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide
CID 11369654
N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide
CID 134920322
(3R)-3-amino-3-cyclohexyl-2,2-difluoropropane-1-sulfonic acid
CID 11521729
3-Amino-3-cyclohexyl-2,2-difluoropropane-1-sulfonic acid
CID 11694544
N-(2-cyclohexylethyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 18360967
(3S)-3-amino-3-cyclohexyl-2,2-difluoropropane-1-sulfonic acid
CID 58691942
(S)-N-[(1S)-1-(4,4-difluorocyclohexyl)prop-2-ynyl]-2-methylpropane-2-sulfinamide
CID 88055226
N-[1-(2,2-difluorocyclohexyl)propan-2-yl]-2-methylpropane-2-sulfinamide
CID 117761743
N-[(2S)-1-(4,4-difluorocyclohexyl)propan-2-yl]-2-methylpropane-2-sulfinamide
CID 117762255
(R)-N-[(2S)-1-(4,4-difluorocyclohexyl)propan-2-yl]-2-methylpropane-2-sulfinamide
CID 117762256
N-[1-(4,4-difluorocyclohexyl)propan-2-yl]-2-methylpropane-2-sulfinamide
CID 117762257
N-[1-(4,4-difluorocyclohexyl)prop-2-ynyl]-2-methylpropane-2-sulfinamide
CID 123606416

Frequently Asked Questions

What is the IUPAC name of (S)-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]propane-2-sulfinamide?
The IUPAC name of (S)-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]propane-2-sulfinamide (CID 45378752) is (S)-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]propane-2-sulfinamide.
What is the SMILES notation for (S)-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]propane-2-sulfinamide?
The canonical SMILES for (S)-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]propane-2-sulfinamide is CC(C)[S@](=O)N[C@@H](C1CCCCC1)C(F)(F)F.
What is the InChIKey of (S)-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]propane-2-sulfinamide?
The InChIKey is KJXLWLUYZAHPCU-BTDLBPIBSA-N. The full InChI is InChI=1S/C11H20F3NOS/c1-8(2)17(16)15-10(11(12,13)14)9-6-4-3-5-7-9/h8-10,15H,3-7H2,1-2H3/t10-,17-/m0/s1.
What are the key properties of (S)-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]propane-2-sulfinamide?
(S)-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]propane-2-sulfinamide has a molecular weight of 271.35 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]propane-2-sulfinamide is sourced from PubChem (CID 45378752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).