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

C12H22F3NOS — CID 134920322

IUPACN-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)N[C@@H](C1CCCCC1)C(F)(F)F
InChIInChI=1S/C12H22F3NOS/c1-11(2,3)18(17)16-10(12(13,14)15)9-7-5-4-6-8-9/h9-10,16H,4-8H2,1-3H3/t10-,18?/m0/s1
InChIKeyMSSLUVLFJBQFJF-APDXDRDNSA-N
MW285.38 g/mol
LogP3.55
Rot. Bonds3

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

N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide (PubChem CID 134920322) has the molecular formula C12H22F3NOS and a molecular weight of 285.38 g/mol. Its IUPAC name is N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide
PubChem CID134920322
Molecular FormulaC12H22F3NOS
Molecular Weight285.38 g/mol
Exact Mass285.14
IUPAC NameN-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)N[C@@H](C1CCCCC1)C(F)(F)F
InChIInChI=1S/C12H22F3NOS/c1-11(2,3)18(17)16-10(12(13,14)15)9-7-5-4-6-8-9/h9-10,16H,4-8H2,1-3H3/t10-,18?/m0/s1
InChIKeyMSSLUVLFJBQFJF-APDXDRDNSA-N
XLogP3.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(R)-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide
CID 11369654
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
3-Amino-3-cyclohexyl-1,1-difluoropropane-1-sulfonic acid
CID 11644581
(3R)-3-amino-3-cyclohexyl-1,1-difluoropropane-1-sulfonic acid
CID 11708674
(3S)-3-amino-3-cyclohexyl-1,1-difluoropropane-1-sulfonic acid
CID 58691845
(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-(3,3-difluorocyclobutyl)ethyl)-2-methylpropane-2-sulfinamide
CID 118558758

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide (CID 134920322) is N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide is CC(C)(C)S(=O)N[C@@H](C1CCCCC1)C(F)(F)F.
What is the InChIKey of N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is MSSLUVLFJBQFJF-APDXDRDNSA-N. The full InChI is InChI=1S/C12H22F3NOS/c1-11(2,3)18(17)16-10(12(13,14)15)9-7-5-4-6-8-9/h9-10,16H,4-8H2,1-3H3/t10-,18?/m0/s1.
What are the key properties of N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide?
N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 285.38 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 134920322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).