(3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide

C16H29N3O3S — CID 28570662

IUPAC(3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide
SMILESCN(C)S(=O)(=O)N1CCC[C@H](C(=O)NCCC2=CCCCC2)C1
InChIInChI=1S/C16H29N3O3S/c1-18(2)23(21,22)19-12-6-9-15(13-19)16(20)17-11-10-14-7-4-3-5-8-14/h7,15H,3-6,8-13H2,1-2H3,(H,17,20)/t15-/m0/s1
InChIKeyFFBRYUCYDGQJPQ-HNNXBMFYSA-N
MW343.49 g/mol
LogP1.51
Rot. Bonds6

About (3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide

(3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide (PubChem CID 28570662) has the molecular formula C16H29N3O3S and a molecular weight of 343.49 g/mol. Its IUPAC name is (3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide
PubChem CID28570662
Molecular FormulaC16H29N3O3S
Molecular Weight343.49 g/mol
Exact Mass343.19
IUPAC Name(3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide
SMILESCN(C)S(=O)(=O)N1CCC[C@H](C(=O)NCCC2=CCCCC2)C1
InChIInChI=1S/C16H29N3O3S/c1-18(2)23(21,22)19-12-6-9-15(13-19)16(20)17-11-10-14-7-4-3-5-8-14/h7,15H,3-6,8-13H2,1-2H3,(H,17,20)/t15-/m0/s1
InChIKeyFFBRYUCYDGQJPQ-HNNXBMFYSA-N
XLogP1.51
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.49
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide (CID 28570662) is (3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide is CN(C)S(=O)(=O)N1CCC[C@H](C(=O)NCCC2=CCCCC2)C1.
What is the InChIKey of (3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide?
The InChIKey is FFBRYUCYDGQJPQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H29N3O3S/c1-18(2)23(21,22)19-12-6-9-15(13-19)16(20)17-11-10-14-7-4-3-5-8-14/h7,15H,3-6,8-13H2,1-2H3,(H,17,20)/t15-/m0/s1.
What are the key properties of (3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide?
(3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide has a molecular weight of 343.49 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide is sourced from PubChem (CID 28570662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).