(R)-N-[(S)-cyclohexa-2,4-dien-1-yl-(4,4-difluorocyclohexyl)methyl]-2-methylpropane-2-sulfinamide

C17H27F2NOS — CID 171777771

IUPAC(R)-N-[(S)-cyclohexa-2,4-dien-1-yl-(4,4-difluorocyclohexyl)methyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N[C@H](C1C=CC=CC1)C1CCC(F)(F)CC1
InChIInChI=1S/C17H27F2NOS/c1-16(2,3)22(21)20-15(13-7-5-4-6-8-13)14-9-11-17(18,19)12-10-14/h4-7,13-15,20H,8-12H2,1-3H3/t13?,15-,22-/m1/s1
InChIKeySJMHQZIBLJYVNN-PTIALTSUSA-N
MW331.47 g/mol
LogP4.36
Rot. Bonds4

About (R)-N-[(S)-cyclohexa-2,4-dien-1-yl-(4,4-difluorocyclohexyl)methyl]-2-methylpropane-2-sulfinamide

(R)-N-[(S)-cyclohexa-2,4-dien-1-yl-(4,4-difluorocyclohexyl)methyl]-2-methylpropane-2-sulfinamide (PubChem CID 171777771) has the molecular formula C17H27F2NOS and a molecular weight of 331.47 g/mol. Its IUPAC name is (R)-N-[(S)-cyclohexa-2,4-dien-1-yl-(4,4-difluorocyclohexyl)methyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(S)-cyclohexa-2,4-dien-1-yl-(4,4-difluorocyclohexyl)methyl]-2-methylpropane-2-sulfinamide
PubChem CID171777771
Molecular FormulaC17H27F2NOS
Molecular Weight331.47 g/mol
Exact Mass331.18
IUPAC Name(R)-N-[(S)-cyclohexa-2,4-dien-1-yl-(4,4-difluorocyclohexyl)methyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N[C@H](C1C=CC=CC1)C1CCC(F)(F)CC1
InChIInChI=1S/C17H27F2NOS/c1-16(2,3)22(21)20-15(13-7-5-4-6-8-13)14-9-11-17(18,19)12-10-14/h4-7,13-15,20H,8-12H2,1-3H3/t13?,15-,22-/m1/s1
InChIKeySJMHQZIBLJYVNN-PTIALTSUSA-N
XLogP4.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.47
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (R)-N-[(S)-cyclohexa-2,4-dien-1-yl-(4,4-difluorocyclohexyl)methyl]-2-methylpropane-2-sulfinamide with MolForge

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Related Compounds

N-[(1S,2S)-2-fluoro-2-(4-fluorocyclohexa-2,4-dien-1-yl)cyclohexyl]propane-2-sulfonamide
CID 164004836
(S)-N-[(R)-[(1S)-cyclohex-2-en-1-yl]-cyclohexylmethyl]-2-methylpropane-2-sulfinamide
CID 134941099
(R)-N-[(E,1S)-1-cyclohexylhex-2-enyl]-2-methylpropane-2-sulfinamide
CID 135000883
(2E,4Z)-7,7,7-trifluoro-6-methyl-N-(4-methylcyclohexyl)hepta-2,4-diene-3-sulfonamide
CID 144195657
ethane;N-(3-methylcyclohexyl)cyclohexa-1,5-diene-1-sulfinamide
CID 143777845
N-[(R)-[(1S)-cyclohex-2-en-1-yl]-cyclohexylmethyl]-2-methylpropane-2-sulfinamide
CID 102473483
N-[(1R)-1-[(1S)-cyclohex-2-en-1-yl]-3-methylbutyl]-2-methylpropane-2-sulfinamide
CID 132574199
N-(3-methylcyclohexyl)cyclohexa-1,5-diene-1-sulfinamide
CID 143777846

Frequently Asked Questions

What is the IUPAC name of (R)-N-[(S)-cyclohexa-2,4-dien-1-yl-(4,4-difluorocyclohexyl)methyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(S)-cyclohexa-2,4-dien-1-yl-(4,4-difluorocyclohexyl)methyl]-2-methylpropane-2-sulfinamide (CID 171777771) is (R)-N-[(S)-cyclohexa-2,4-dien-1-yl-(4,4-difluorocyclohexyl)methyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(S)-cyclohexa-2,4-dien-1-yl-(4,4-difluorocyclohexyl)methyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(S)-cyclohexa-2,4-dien-1-yl-(4,4-difluorocyclohexyl)methyl]-2-methylpropane-2-sulfinamide is CC(C)(C)[S@@](=O)N[C@H](C1C=CC=CC1)C1CCC(F)(F)CC1.
What is the InChIKey of (R)-N-[(S)-cyclohexa-2,4-dien-1-yl-(4,4-difluorocyclohexyl)methyl]-2-methylpropane-2-sulfinamide?
The InChIKey is SJMHQZIBLJYVNN-PTIALTSUSA-N. The full InChI is InChI=1S/C17H27F2NOS/c1-16(2,3)22(21)20-15(13-7-5-4-6-8-13)14-9-11-17(18,19)12-10-14/h4-7,13-15,20H,8-12H2,1-3H3/t13?,15-,22-/m1/s1.
What are the key properties of (R)-N-[(S)-cyclohexa-2,4-dien-1-yl-(4,4-difluorocyclohexyl)methyl]-2-methylpropane-2-sulfinamide?
(R)-N-[(S)-cyclohexa-2,4-dien-1-yl-(4,4-difluorocyclohexyl)methyl]-2-methylpropane-2-sulfinamide has a molecular weight of 331.47 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(S)-cyclohexa-2,4-dien-1-yl-(4,4-difluorocyclohexyl)methyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 171777771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).