(3S)-1-(dimethylsulfamoyl)-N,N-diethylpiperidine-3-carboxamide

C12H25N3O3S — CID 92685694

IUPAC(3S)-1-(dimethylsulfamoyl)-N,N-diethylpiperidine-3-carboxamide
SMILESCCN(CC)C(=O)[C@H]1CCCN(S(=O)(=O)N(C)C)C1
InChIInChI=1S/C12H25N3O3S/c1-5-14(6-2)12(16)11-8-7-9-15(10-11)19(17,18)13(3)4/h11H,5-10H2,1-4H3/t11-/m0/s1
InChIKeyCONQTGWZMFNOQU-NSHDSACASA-N
MW291.42 g/mol
LogP0.37
Rot. Bonds5

About (3S)-1-(dimethylsulfamoyl)-N,N-diethylpiperidine-3-carboxamide

(3S)-1-(dimethylsulfamoyl)-N,N-diethylpiperidine-3-carboxamide (PubChem CID 92685694) has the molecular formula C12H25N3O3S and a molecular weight of 291.42 g/mol. Its IUPAC name is (3S)-1-(dimethylsulfamoyl)-N,N-diethylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(dimethylsulfamoyl)-N,N-diethylpiperidine-3-carboxamide
PubChem CID92685694
Molecular FormulaC12H25N3O3S
Molecular Weight291.42 g/mol
Exact Mass291.16
IUPAC Name(3S)-1-(dimethylsulfamoyl)-N,N-diethylpiperidine-3-carboxamide
SMILESCCN(CC)C(=O)[C@H]1CCCN(S(=O)(=O)N(C)C)C1
InChIInChI=1S/C12H25N3O3S/c1-5-14(6-2)12(16)11-8-7-9-15(10-11)19(17,18)13(3)4/h11H,5-10H2,1-4H3/t11-/m0/s1
InChIKeyCONQTGWZMFNOQU-NSHDSACASA-N
XLogP0.37
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(dimethylsulfamoyl)-N,N-dimethylpiperidine-3-carboxamide
CID 92684694
(3R)-1-(dimethylsulfamoyl)-N-methylpiperidine-3-carboxamide
CID 94012254
(3R)-1-(dimethylsulfamoyl)-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide
CID 28958223
(3S)-N,N-dimethyl-3-(4-methylpiperidine-1-carbonyl)piperidine-1-sulfonamide
CID 94013163
(3R)-N-cyclopentyl-1-(dimethylsulfamoyl)piperidine-3-carboxamide
CID 92686253
(3R)-1-(dimethylsulfamoyl)-N-(2-methylpropyl)piperidine-3-carboxamide
CID 28567035
N,N-diethyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 3863405
3-[ethyl-(1-methylsulfonylpiperidine-3-carbonyl)amino]-2-methylpropanoic acid
CID 62827234
(3S)-1-(2,5-dimethylphenyl)sulfonyl-N,N-diethylpiperidine-3-carboxamide
CID 100780184
(3R)-1-(dimethylsulfamoyl)-N-methyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 28631723
1-(3,5-dichloro-2-hydroxyphenyl)sulfonyl-N,N-diethylpiperidine-3-carboxamide
CID 3743179
N,N-diethyl-1-(3-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 23992171

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(dimethylsulfamoyl)-N,N-diethylpiperidine-3-carboxamide?
The IUPAC name of (3S)-1-(dimethylsulfamoyl)-N,N-diethylpiperidine-3-carboxamide (CID 92685694) is (3S)-1-(dimethylsulfamoyl)-N,N-diethylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(dimethylsulfamoyl)-N,N-diethylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(dimethylsulfamoyl)-N,N-diethylpiperidine-3-carboxamide is CCN(CC)C(=O)[C@H]1CCCN(S(=O)(=O)N(C)C)C1.
What is the InChIKey of (3S)-1-(dimethylsulfamoyl)-N,N-diethylpiperidine-3-carboxamide?
The InChIKey is CONQTGWZMFNOQU-NSHDSACASA-N. The full InChI is InChI=1S/C12H25N3O3S/c1-5-14(6-2)12(16)11-8-7-9-15(10-11)19(17,18)13(3)4/h11H,5-10H2,1-4H3/t11-/m0/s1.
What are the key properties of (3S)-1-(dimethylsulfamoyl)-N,N-diethylpiperidine-3-carboxamide?
(3S)-1-(dimethylsulfamoyl)-N,N-diethylpiperidine-3-carboxamide has a molecular weight of 291.42 g/mol, XLogP of 0.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(dimethylsulfamoyl)-N,N-diethylpiperidine-3-carboxamide is sourced from PubChem (CID 92685694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).