N-(cyclohexen-1-ylmethyl)-2-methylpropane-2-sulfonamide

C11H21NO2S — CID 11791066

IUPACN-(cyclohexen-1-ylmethyl)-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NCC1=CCCCC1
InChIInChI=1S/C11H21NO2S/c1-11(2,3)15(13,14)12-9-10-7-5-4-6-8-10/h7,12H,4-6,8-9H2,1-3H3
InChIKeyVYHJTDVXQVFCKW-UHFFFAOYSA-N
MW231.36 g/mol
LogP2.20
Rot. Bonds3

About N-(cyclohexen-1-ylmethyl)-2-methylpropane-2-sulfonamide

N-(cyclohexen-1-ylmethyl)-2-methylpropane-2-sulfonamide (PubChem CID 11791066) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is N-(cyclohexen-1-ylmethyl)-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-(cyclohexen-1-ylmethyl)-2-methylpropane-2-sulfonamide
PubChem CID11791066
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC NameN-(cyclohexen-1-ylmethyl)-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NCC1=CCCCC1
InChIInChI=1S/C11H21NO2S/c1-11(2,3)15(13,14)12-9-10-7-5-4-6-8-10/h7,12H,4-6,8-9H2,1-3H3
InChIKeyVYHJTDVXQVFCKW-UHFFFAOYSA-N
XLogP2.20
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1-cyclohexen-1-yl)ethyl]methanesulfonamide
CID 3246760
N-(2-butylcyclopent-2-en-1-yl)-2-methylpropane-2-sulfonamide
CID 102388633
N-(2-butylcyclohex-2-en-1-yl)-2-methylpropane-2-sulfonamide
CID 102388637
2-methyl-N-[2-(trimethylsilylmethyl)cyclohex-2-en-1-yl]propane-2-sulfonamide
CID 134999197
N-[(1R)-1-(cyclohexen-1-yl)propyl]-2-methylpropane-2-sulfinamide
CID 138970584
N-(2-(cyclohex-1-en-1-yl)ethyl)cyclopropanesulfonamide
CID 45497311
N-(2-methylpropyl)cyclohexene-1-sulfonamide
CID 18792230
N-[2-(cyclohexen-1-yl)ethyl]-2-methylpropane-2-sulfonamide
CID 60069844
N-[2-(cyclohexen-1-yl)ethyl]propane-2-sulfonamide
CID 61361231
N-[2-(cyclopenten-1-yl)ethyl]-2-methylpropane-2-sulfinamide
CID 90709231
[4-(2-Aminoethyl)cyclohexa-1,3-dien-1-yl]methanesulfonamide
CID 91581456
5-(aminomethyl)-N-ethylcyclohexa-1,5-diene-1-sulfonamide
CID 129171306

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexen-1-ylmethyl)-2-methylpropane-2-sulfonamide?
The IUPAC name of N-(cyclohexen-1-ylmethyl)-2-methylpropane-2-sulfonamide (CID 11791066) is N-(cyclohexen-1-ylmethyl)-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-(cyclohexen-1-ylmethyl)-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-(cyclohexen-1-ylmethyl)-2-methylpropane-2-sulfonamide is CC(C)(C)S(=O)(=O)NCC1=CCCCC1.
What is the InChIKey of N-(cyclohexen-1-ylmethyl)-2-methylpropane-2-sulfonamide?
The InChIKey is VYHJTDVXQVFCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S/c1-11(2,3)15(13,14)12-9-10-7-5-4-6-8-10/h7,12H,4-6,8-9H2,1-3H3.
What are the key properties of N-(cyclohexen-1-ylmethyl)-2-methylpropane-2-sulfonamide?
N-(cyclohexen-1-ylmethyl)-2-methylpropane-2-sulfonamide has a molecular weight of 231.36 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexen-1-ylmethyl)-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 11791066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).