N-[2-(cyclohexen-1-yl)ethyl]-3-methylpiperidine-1-sulfonamide

C14H26N2O2S — CID 46673611

IUPACN-[2-(cyclohexen-1-yl)ethyl]-3-methylpiperidine-1-sulfonamide
SMILESCC1CCCN(S(=O)(=O)NCCC2=CCCCC2)C1
InChIInChI=1S/C14H26N2O2S/c1-13-6-5-11-16(12-13)19(17,18)15-10-9-14-7-3-2-4-8-14/h7,13,15H,2-6,8-12H2,1H3
InChIKeyIZXWIWAPDQPNIS-UHFFFAOYSA-N
MW286.44 g/mol
LogP2.44
Rot. Bonds5

About N-[2-(cyclohexen-1-yl)ethyl]-3-methylpiperidine-1-sulfonamide

N-[2-(cyclohexen-1-yl)ethyl]-3-methylpiperidine-1-sulfonamide (PubChem CID 46673611) has the molecular formula C14H26N2O2S and a molecular weight of 286.44 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-3-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-3-methylpiperidine-1-sulfonamide
PubChem CID46673611
Molecular FormulaC14H26N2O2S
Molecular Weight286.44 g/mol
Exact Mass286.17
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-3-methylpiperidine-1-sulfonamide
SMILESCC1CCCN(S(=O)(=O)NCCC2=CCCCC2)C1
InChIInChI=1S/C14H26N2O2S/c1-13-6-5-11-16(12-13)19(17,18)15-10-9-14-7-3-2-4-8-14/h7,13,15H,2-6,8-12H2,1H3
InChIKeyIZXWIWAPDQPNIS-UHFFFAOYSA-N
XLogP2.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 52.44
H-Bond Donors ≤ 51
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-[2-(cyclohexen-1-yl)ethyl]-3-methylpiperidine-1-sulfonamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-methylpiperidine-1-sulfonamide (CID 46673611) is N-[2-(cyclohexen-1-yl)ethyl]-3-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-3-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-3-methylpiperidine-1-sulfonamide is CC1CCCN(S(=O)(=O)NCCC2=CCCCC2)C1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-3-methylpiperidine-1-sulfonamide?
The InChIKey is IZXWIWAPDQPNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2S/c1-13-6-5-11-16(12-13)19(17,18)15-10-9-14-7-3-2-4-8-14/h7,13,15H,2-6,8-12H2,1H3.
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-3-methylpiperidine-1-sulfonamide?
N-[2-(cyclohexen-1-yl)ethyl]-3-methylpiperidine-1-sulfonamide has a molecular weight of 286.44 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-3-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 46673611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).