(S)-N-[(R)-[(1S)-cyclohex-2-en-1-yl]-cyclohexylmethyl]-2-methylpropane-2-sulfinamide

C17H31NOS — CID 134941099

IUPAC(S)-N-[(R)-[(1S)-cyclohex-2-en-1-yl]-cyclohexylmethyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@](=O)N[C@H](C1CCCCC1)[C@@H]1C=CCCC1
InChIInChI=1S/C17H31NOS/c1-17(2,3)20(19)18-16(14-10-6-4-7-11-14)15-12-8-5-9-13-15/h6,10,14-16,18H,4-5,7-9,11-13H2,1-3H3/t14-,16+,20+/m1/s1
InChIKeyJRFTWRDSDWSFIP-IIMJZQEZSA-N
MW297.51 g/mol
LogP4.34
Rot. Bonds4

About (S)-N-[(R)-[(1S)-cyclohex-2-en-1-yl]-cyclohexylmethyl]-2-methylpropane-2-sulfinamide

(S)-N-[(R)-[(1S)-cyclohex-2-en-1-yl]-cyclohexylmethyl]-2-methylpropane-2-sulfinamide (PubChem CID 134941099) has the molecular formula C17H31NOS and a molecular weight of 297.51 g/mol. Its IUPAC name is (S)-N-[(R)-[(1S)-cyclohex-2-en-1-yl]-cyclohexylmethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(S)-N-[(R)-[(1S)-cyclohex-2-en-1-yl]-cyclohexylmethyl]-2-methylpropane-2-sulfinamide
PubChem CID134941099
Molecular FormulaC17H31NOS
Molecular Weight297.51 g/mol
Exact Mass297.21
IUPAC Name(S)-N-[(R)-[(1S)-cyclohex-2-en-1-yl]-cyclohexylmethyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@](=O)N[C@H](C1CCCCC1)[C@@H]1C=CCCC1
InChIInChI=1S/C17H31NOS/c1-17(2,3)20(19)18-16(14-10-6-4-7-11-14)15-12-8-5-9-13-15/h6,10,14-16,18H,4-5,7-9,11-13H2,1-3H3/t14-,16+,20+/m1/s1
InChIKeyJRFTWRDSDWSFIP-IIMJZQEZSA-N
XLogP4.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.51
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(R)-N-[(1R)-1-cyclohexyl-2-ethenylbut-3-enyl]-2-methylpropane-2-sulfinamide
CID 139093106
(R)-N-[(S)-cyclohexa-2,4-dien-1-yl-(4,4-difluorocyclohexyl)methyl]-2-methylpropane-2-sulfinamide
CID 171777771
(R)-N-[(1S)-1-cyclohexylbut-3-enyl]-2-methylpropane-2-sulfinamide
CID 11984214
(2E,1S,4S)-N,N'-bis-(tert-butylsulfonyl)-1,4-dicyclohexyl-but-2-ene-1,4-diamine
CID 101396860
(R)-N-[(E,2S)-1-cyclohexylhept-3-en-2-yl]-2-methylpropane-2-sulfinamide
CID 134941850
N-[(E,1R,4R)-4-(tert-butylsulfonylamino)-1,4-dicyclohexylbut-2-enyl]-2-methylpropane-2-sulfonamide
CID 134999210
(R)-N-[(E,1S)-1-cyclohexylhex-2-enyl]-2-methylpropane-2-sulfinamide
CID 135000883
N-[(4R)-3-ethenyltridec-1-en-4-yl]-2-methylpropane-2-sulfinamide
CID 102333982
2-methyl-N-(4-methylcyclohex-2-en-1-yl)propane-2-sulfinamide
CID 70892547
ethane;N-(3-methylcyclohexyl)cyclohexa-1,5-diene-1-sulfinamide
CID 143777845
ethane;N-(3-methylcyclohexyl)cyclohexa-1,5-diene-1-sulfonamide
CID 143777848
(S)-N-[(2S)-1-cyclohexylbut-3-en-2-yl]-2-methylpropane-2-sulfinamide
CID 11196188

Frequently Asked Questions

What is the IUPAC name of (S)-N-[(R)-[(1S)-cyclohex-2-en-1-yl]-cyclohexylmethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (S)-N-[(R)-[(1S)-cyclohex-2-en-1-yl]-cyclohexylmethyl]-2-methylpropane-2-sulfinamide (CID 134941099) is (S)-N-[(R)-[(1S)-cyclohex-2-en-1-yl]-cyclohexylmethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (S)-N-[(R)-[(1S)-cyclohex-2-en-1-yl]-cyclohexylmethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (S)-N-[(R)-[(1S)-cyclohex-2-en-1-yl]-cyclohexylmethyl]-2-methylpropane-2-sulfinamide is CC(C)(C)[S@](=O)N[C@H](C1CCCCC1)[C@@H]1C=CCCC1.
What is the InChIKey of (S)-N-[(R)-[(1S)-cyclohex-2-en-1-yl]-cyclohexylmethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is JRFTWRDSDWSFIP-IIMJZQEZSA-N. The full InChI is InChI=1S/C17H31NOS/c1-17(2,3)20(19)18-16(14-10-6-4-7-11-14)15-12-8-5-9-13-15/h6,10,14-16,18H,4-5,7-9,11-13H2,1-3H3/t14-,16+,20+/m1/s1.
What are the key properties of (S)-N-[(R)-[(1S)-cyclohex-2-en-1-yl]-cyclohexylmethyl]-2-methylpropane-2-sulfinamide?
(S)-N-[(R)-[(1S)-cyclohex-2-en-1-yl]-cyclohexylmethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 297.51 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-N-[(R)-[(1S)-cyclohex-2-en-1-yl]-cyclohexylmethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 134941099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).