N-(3-methylcyclohexyl)cyclohexa-1,5-diene-1-sulfinamide

C13H21NOS — CID 143777846

IUPACN-(3-methylcyclohexyl)cyclohexa-1,5-diene-1-sulfinamide
SMILESCC1CCCC(NS(=O)C2=CCCC=C2)C1
InChIInChI=1S/C13H21NOS/c1-11-6-5-7-12(10-11)14-16(15)13-8-3-2-4-9-13/h3,8-9,11-12,14H,2,4-7,10H2,1H3
InChIKeySEPUJFDEGQTDCO-UHFFFAOYSA-N
MW239.38 g/mol
LogP3.05
Rot. Bonds3

About N-(3-methylcyclohexyl)cyclohexa-1,5-diene-1-sulfinamide

N-(3-methylcyclohexyl)cyclohexa-1,5-diene-1-sulfinamide (PubChem CID 143777846) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is N-(3-methylcyclohexyl)cyclohexa-1,5-diene-1-sulfinamide.

Molecular Properties

Compound NameN-(3-methylcyclohexyl)cyclohexa-1,5-diene-1-sulfinamide
PubChem CID143777846
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC NameN-(3-methylcyclohexyl)cyclohexa-1,5-diene-1-sulfinamide
SMILESCC1CCCC(NS(=O)C2=CCCC=C2)C1
InChIInChI=1S/C13H21NOS/c1-11-6-5-7-12(10-11)14-16(15)13-8-3-2-4-9-13/h3,8-9,11-12,14H,2,4-7,10H2,1H3
InChIKeySEPUJFDEGQTDCO-UHFFFAOYSA-N
XLogP3.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(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
(S)-N-[(R)-[(1S)-cyclohex-2-en-1-yl]-cyclohexylmethyl]-2-methylpropane-2-sulfinamide
CID 134941099
(R)-N-[(E,2S)-1-cyclohexylhept-3-en-2-yl]-2-methylpropane-2-sulfinamide
CID 134941850
(R)-N-[(E,1S)-1-cyclohexylhex-2-enyl]-2-methylpropane-2-sulfinamide
CID 135000883
2-methyl-N-(4-methylcyclohex-2-en-1-yl)propane-2-sulfinamide
CID 70892547
4-methyl-1-N-(2-methylcyclohexyl)cyclohexa-1,5-diene-1,4-disulfonamide
CID 141634081
ethane;(2Z,4E)-N-(4-methylcyclohexyl)hepta-2,4-diene-4-sulfonamide
CID 143225625
ethane;N-(3-methylcyclohexyl)cyclohexa-1,5-diene-1-sulfinamide
CID 143777845
ethane;N-(3-methylcyclohexyl)cyclohexa-1,5-diene-1-sulfonamide
CID 143777848
3-methyl-3,4,5,6-tetrahydro-2H-1lambda4,2-benzothiazine 1-oxide
CID 144296423
(S)-N-[(2S)-1-cyclohexylbut-3-en-2-yl]-2-methylpropane-2-sulfinamide
CID 11196188

Frequently Asked Questions

What is the IUPAC name of N-(3-methylcyclohexyl)cyclohexa-1,5-diene-1-sulfinamide?
The IUPAC name of N-(3-methylcyclohexyl)cyclohexa-1,5-diene-1-sulfinamide (CID 143777846) is N-(3-methylcyclohexyl)cyclohexa-1,5-diene-1-sulfinamide.
What is the SMILES notation for N-(3-methylcyclohexyl)cyclohexa-1,5-diene-1-sulfinamide?
The canonical SMILES for N-(3-methylcyclohexyl)cyclohexa-1,5-diene-1-sulfinamide is CC1CCCC(NS(=O)C2=CCCC=C2)C1.
What is the InChIKey of N-(3-methylcyclohexyl)cyclohexa-1,5-diene-1-sulfinamide?
The InChIKey is SEPUJFDEGQTDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-11-6-5-7-12(10-11)14-16(15)13-8-3-2-4-9-13/h3,8-9,11-12,14H,2,4-7,10H2,1H3.
What are the key properties of N-(3-methylcyclohexyl)cyclohexa-1,5-diene-1-sulfinamide?
N-(3-methylcyclohexyl)cyclohexa-1,5-diene-1-sulfinamide has a molecular weight of 239.38 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylcyclohexyl)cyclohexa-1,5-diene-1-sulfinamide is sourced from PubChem (CID 143777846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).