N-(cyclohex-3-en-1-ylmethyl)-N-methylmethanesulfonamide

C9H17NO2S — CID 130736423

IUPACN-(cyclohex-3-en-1-ylmethyl)-N-methylmethanesulfonamide
SMILESCN(CC1CC=CCC1)S(C)(=O)=O
InChIInChI=1S/C9H17NO2S/c1-10(13(2,11)12)8-9-6-4-3-5-7-9/h3-4,9H,5-8H2,1-2H3
InChIKeyCAPILJQSOJKJIG-UHFFFAOYSA-N
MW203.31 g/mol
LogP1.23
Rot. Bonds3

About N-(cyclohex-3-en-1-ylmethyl)-N-methylmethanesulfonamide

N-(cyclohex-3-en-1-ylmethyl)-N-methylmethanesulfonamide (PubChem CID 130736423) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-N-methylmethanesulfonamide
PubChem CID130736423
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-N-methylmethanesulfonamide
SMILESCN(CC1CC=CCC1)S(C)(=O)=O
InChIInChI=1S/C9H17NO2S/c1-10(13(2,11)12)8-9-6-4-3-5-7-9/h3-4,9H,5-8H2,1-2H3
InChIKeyCAPILJQSOJKJIG-UHFFFAOYSA-N
XLogP1.23
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-N-methylmethanesulfonamide?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-N-methylmethanesulfonamide (CID 130736423) is N-(cyclohex-3-en-1-ylmethyl)-N-methylmethanesulfonamide.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-N-methylmethanesulfonamide?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-N-methylmethanesulfonamide is CN(CC1CC=CCC1)S(C)(=O)=O.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-N-methylmethanesulfonamide?
The InChIKey is CAPILJQSOJKJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c1-10(13(2,11)12)8-9-6-4-3-5-7-9/h3-4,9H,5-8H2,1-2H3.
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-N-methylmethanesulfonamide?
N-(cyclohex-3-en-1-ylmethyl)-N-methylmethanesulfonamide has a molecular weight of 203.31 g/mol, XLogP of 1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-N-methylmethanesulfonamide is sourced from PubChem (CID 130736423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).