(2S)-1-[cyclohexyl(methyl)sulfamoyl]pyrrolidine-2-carboxamide

C12H23N3O3S — CID 100633794

IUPAC(2S)-1-[cyclohexyl(methyl)sulfamoyl]pyrrolidine-2-carboxamide
SMILESCN(C1CCCCC1)S(=O)(=O)N1CCC[C@H]1C(N)=O
InChIInChI=1S/C12H23N3O3S/c1-14(10-6-3-2-4-7-10)19(17,18)15-9-5-8-11(15)12(13)16/h10-11H,2-9H2,1H3,(H2,13,16)/t11-/m0/s1
InChIKeyDUWQRNXDTRYDEX-NSHDSACASA-N
MW289.40 g/mol
LogP0.45
Rot. Bonds4

About (2S)-1-[cyclohexyl(methyl)sulfamoyl]pyrrolidine-2-carboxamide

(2S)-1-[cyclohexyl(methyl)sulfamoyl]pyrrolidine-2-carboxamide (PubChem CID 100633794) has the molecular formula C12H23N3O3S and a molecular weight of 289.40 g/mol. Its IUPAC name is (2S)-1-[cyclohexyl(methyl)sulfamoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[cyclohexyl(methyl)sulfamoyl]pyrrolidine-2-carboxamide
PubChem CID100633794
Molecular FormulaC12H23N3O3S
Molecular Weight289.40 g/mol
Exact Mass289.15
IUPAC Name(2S)-1-[cyclohexyl(methyl)sulfamoyl]pyrrolidine-2-carboxamide
SMILESCN(C1CCCCC1)S(=O)(=O)N1CCC[C@H]1C(N)=O
InChIInChI=1S/C12H23N3O3S/c1-14(10-6-3-2-4-7-10)19(17,18)15-9-5-8-11(15)12(13)16/h10-11H,2-9H2,1H3,(H2,13,16)/t11-/m0/s1
InChIKeyDUWQRNXDTRYDEX-NSHDSACASA-N
XLogP0.45
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-[cyclohexyl(methyl)sulfamoyl]pyrrolidine-2-carboxylate
CID 43423586
N-cyclohexyl-2-(hydroxymethyl)-N-methylpyrrolidine-1-sulfonamide
CID 61408756
N-cyclohexyl-2-cyclopentyl-N-methylpyrrolidine-1-sulfonamide
CID 71889779
(4aS,8aR)-N-cycloheptyl-N-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-sulfonamide
CID 100901387
N-cyclohexyl-N,2-dimethylpiperidine-1-sulfonamide
CID 128926642
1-[methyl(oxan-4-yl)sulfamoyl]piperidine-2-carboxylic acid
CID 60858619
1-methylsulfonylpiperidine-2-carboxamide
CID 43236894
1-[1-[cyclohexyl(methyl)sulfamoyl]piperidine-3-carbonyl]piperidine-4-carboxamide
CID 22552859
2-(aminomethyl)-N-cyclohexyl-N-methylpiperidine-1-sulfonamide;hydrochloride
CID 119969104
(2R)-1-tert-butylsulfonylpyrrolidine-2-carboxamide
CID 59831561
4-(2-aminopropanoyl)-N-cyclohexyl-N-methylpiperazine-1-sulfonamide
CID 119292580
N-cyclohexyl-N-methyl-2-(2-oxocyclohexyl)pyrrolidine-1-sulfonamide
CID 127864106

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[cyclohexyl(methyl)sulfamoyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[cyclohexyl(methyl)sulfamoyl]pyrrolidine-2-carboxamide (CID 100633794) is (2S)-1-[cyclohexyl(methyl)sulfamoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[cyclohexyl(methyl)sulfamoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[cyclohexyl(methyl)sulfamoyl]pyrrolidine-2-carboxamide is CN(C1CCCCC1)S(=O)(=O)N1CCC[C@H]1C(N)=O.
What is the InChIKey of (2S)-1-[cyclohexyl(methyl)sulfamoyl]pyrrolidine-2-carboxamide?
The InChIKey is DUWQRNXDTRYDEX-NSHDSACASA-N. The full InChI is InChI=1S/C12H23N3O3S/c1-14(10-6-3-2-4-7-10)19(17,18)15-9-5-8-11(15)12(13)16/h10-11H,2-9H2,1H3,(H2,13,16)/t11-/m0/s1.
What are the key properties of (2S)-1-[cyclohexyl(methyl)sulfamoyl]pyrrolidine-2-carboxamide?
(2S)-1-[cyclohexyl(methyl)sulfamoyl]pyrrolidine-2-carboxamide has a molecular weight of 289.40 g/mol, XLogP of 0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[cyclohexyl(methyl)sulfamoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 100633794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).