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

C14H26N2O2S — CID 35295600

IUPAC(2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-methylpiperidine-1-sulfonamide
SMILESC[C@H]1CCCCN1S(=O)(=O)NCCC1=CCCCC1
InChIInChI=1S/C14H26N2O2S/c1-13-7-5-6-12-16(13)19(17,18)15-11-10-14-8-3-2-4-9-14/h8,13,15H,2-7,9-12H2,1H3/t13-/m0/s1
InChIKeyPUMKEZLEAHADAT-ZDUSSCGKSA-N
MW286.44 g/mol
LogP2.59
Rot. Bonds5

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

(2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-methylpiperidine-1-sulfonamide (PubChem CID 35295600) has the molecular formula C14H26N2O2S and a molecular weight of 286.44 g/mol. Its IUPAC name is (2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name(2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-methylpiperidine-1-sulfonamide
PubChem CID35295600
Molecular FormulaC14H26N2O2S
Molecular Weight286.44 g/mol
Exact Mass286.17
IUPAC Name(2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-methylpiperidine-1-sulfonamide
SMILESC[C@H]1CCCCN1S(=O)(=O)NCCC1=CCCCC1
InChIInChI=1S/C14H26N2O2S/c1-13-7-5-6-12-16(13)19(17,18)15-11-10-14-8-3-2-4-9-14/h8,13,15H,2-7,9-12H2,1H3/t13-/m0/s1
InChIKeyPUMKEZLEAHADAT-ZDUSSCGKSA-N
XLogP2.59
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 ≤ 52.59
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

(2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-methylpiperidine-1-sulfonamide
CID 35295593
1-[2-(Dimethylsulfamoylamino)ethyl]cyclohexene
CID 35295607
N-[2-(cyclohexen-1-yl)ethyl]-3-methylpiperidine-1-sulfonamide
CID 46673611
N-[2-(cyclohexen-1-yl)ethyl]-2-methylpiperidine-1-sulfonamide
CID 47025150
N-[2-(cyclohexen-1-yl)ethyl]piperidine-1-sulfonamide
CID 47148938
N-[2-(cyclohexen-1-yl)ethyl]piperazine-1-sulfonamide
CID 61252558
1-[2-[[Cyclopropyl(methyl)sulfamoyl]amino]ethyl]cyclohexene
CID 75372468
4-[(1-Methylsulfonylpiperidin-3-yl)methyl]cyclohex-3-en-1-amine
CID 83262528
N-[2-(cyclohexen-1-yl)ethylsulfamoyl]propan-2-amine
CID 84283440
N-methyl-1-[1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperidin-2-yl]methanamine
CID 106317147
N-[[1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperidin-2-yl]methyl]propan-2-amine
CID 106317148
N-[[1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperidin-4-yl]methyl]propan-2-amine
CID 106317240

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-methylpiperidine-1-sulfonamide?
The IUPAC name of (2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-methylpiperidine-1-sulfonamide (CID 35295600) is (2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-methylpiperidine-1-sulfonamide.
What is the SMILES notation for (2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-methylpiperidine-1-sulfonamide?
The canonical SMILES for (2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-methylpiperidine-1-sulfonamide is C[C@H]1CCCCN1S(=O)(=O)NCCC1=CCCCC1.
What is the InChIKey of (2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-methylpiperidine-1-sulfonamide?
The InChIKey is PUMKEZLEAHADAT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H26N2O2S/c1-13-7-5-6-12-16(13)19(17,18)15-11-10-14-8-3-2-4-9-14/h8,13,15H,2-7,9-12H2,1H3/t13-/m0/s1.
What are the key properties of (2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-methylpiperidine-1-sulfonamide?
(2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-methylpiperidine-1-sulfonamide has a molecular weight of 286.44 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 35295600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).