(3S)-3-(cyclopentylsulfamoyl)-N-[2-(dimethylamino)pyrimidin-5-yl]piperidine-1-carboxamide

C17H28N6O3S — CID 97348384

IUPAC(3S)-3-(cyclopentylsulfamoyl)-N-[2-(dimethylamino)pyrimidin-5-yl]piperidine-1-carboxamide
SMILESCN(C)c1ncc(NC(=O)N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)cn1
InChIInChI=1S/C17H28N6O3S/c1-22(2)16-18-10-14(11-19-16)20-17(24)23-9-5-8-15(12-23)27(25,26)21-13-6-3-4-7-13/h10-11,13,15,21H,3-9,12H2,1-2H3,(H,20,24)/t15-/m0/s1
InChIKeyNTNINCYFNHKCTH-HNNXBMFYSA-N
MW396.52 g/mol
LogP1.40
Rot. Bonds5

About (3S)-3-(cyclopentylsulfamoyl)-N-[2-(dimethylamino)pyrimidin-5-yl]piperidine-1-carboxamide

(3S)-3-(cyclopentylsulfamoyl)-N-[2-(dimethylamino)pyrimidin-5-yl]piperidine-1-carboxamide (PubChem CID 97348384) has the molecular formula C17H28N6O3S and a molecular weight of 396.52 g/mol. Its IUPAC name is (3S)-3-(cyclopentylsulfamoyl)-N-[2-(dimethylamino)pyrimidin-5-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-(cyclopentylsulfamoyl)-N-[2-(dimethylamino)pyrimidin-5-yl]piperidine-1-carboxamide
PubChem CID97348384
Molecular FormulaC17H28N6O3S
Molecular Weight396.52 g/mol
Exact Mass396.19
IUPAC Name(3S)-3-(cyclopentylsulfamoyl)-N-[2-(dimethylamino)pyrimidin-5-yl]piperidine-1-carboxamide
SMILESCN(C)c1ncc(NC(=O)N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)cn1
InChIInChI=1S/C17H28N6O3S/c1-22(2)16-18-10-14(11-19-16)20-17(24)23-9-5-8-15(12-23)27(25,26)21-13-6-3-4-7-13/h10-11,13,15,21H,3-9,12H2,1-2H3,(H,20,24)/t15-/m0/s1
InChIKeyNTNINCYFNHKCTH-HNNXBMFYSA-N
XLogP1.40
TPSA107.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-N-[2-(dimethylamino)pyrimidin-5-yl]-3-morpholin-4-ylsulfonylpiperidine-1-carboxamide
CID 97344454
(3S)-N-(3-carbamoylphenyl)-3-(cyclopentylsulfamoyl)piperidine-1-carboxamide
CID 97348320
3-(cyclopentylsulfamoyl)-N-(2,6-difluorophenyl)piperidine-1-carboxamide
CID 75476010
(3R)-N-[2-(dimethylamino)pyrimidin-5-yl]-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
CID 124590792
(3S)-N-cyclopentyl-1-[2-(dimethylamino)pyridine-3-carbonyl]piperidine-3-sulfonamide
CID 97348566
(3R)-N-cyclopentyl-1-[2-(dimethylamino)pyridine-3-carbonyl]piperidine-3-sulfonamide
CID 97348567
(3R)-N-cyclopentyl-1-(2,2-dimethylpropanoyl)piperidine-3-sulfonamide
CID 97348527
(3S)-N-cyclopentyl-1-(2-methylpropanoyl)piperidine-3-sulfonamide
CID 97348594
cis-(1R,2S)-2-[(3S)-3-(cyclopentylsulfamoyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 125120065
N-cyclopentyl-1-(1,3-thiazole-4-carbonyl)piperidine-3-sulfonamide
CID 75476178
(3S)-N-cyclopentyl-1-(pyridine-2-carbonyl)piperidine-3-sulfonamide
CID 97348588
4-[3-(cyclopentylsulfamoyl)piperidin-1-yl]-4-oxobutanoic acid
CID 120551607

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(cyclopentylsulfamoyl)-N-[2-(dimethylamino)pyrimidin-5-yl]piperidine-1-carboxamide?
The IUPAC name of (3S)-3-(cyclopentylsulfamoyl)-N-[2-(dimethylamino)pyrimidin-5-yl]piperidine-1-carboxamide (CID 97348384) is (3S)-3-(cyclopentylsulfamoyl)-N-[2-(dimethylamino)pyrimidin-5-yl]piperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-(cyclopentylsulfamoyl)-N-[2-(dimethylamino)pyrimidin-5-yl]piperidine-1-carboxamide?
The canonical SMILES for (3S)-3-(cyclopentylsulfamoyl)-N-[2-(dimethylamino)pyrimidin-5-yl]piperidine-1-carboxamide is CN(C)c1ncc(NC(=O)N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)cn1.
What is the InChIKey of (3S)-3-(cyclopentylsulfamoyl)-N-[2-(dimethylamino)pyrimidin-5-yl]piperidine-1-carboxamide?
The InChIKey is NTNINCYFNHKCTH-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H28N6O3S/c1-22(2)16-18-10-14(11-19-16)20-17(24)23-9-5-8-15(12-23)27(25,26)21-13-6-3-4-7-13/h10-11,13,15,21H,3-9,12H2,1-2H3,(H,20,24)/t15-/m0/s1.
What are the key properties of (3S)-3-(cyclopentylsulfamoyl)-N-[2-(dimethylamino)pyrimidin-5-yl]piperidine-1-carboxamide?
(3S)-3-(cyclopentylsulfamoyl)-N-[2-(dimethylamino)pyrimidin-5-yl]piperidine-1-carboxamide has a molecular weight of 396.52 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(cyclopentylsulfamoyl)-N-[2-(dimethylamino)pyrimidin-5-yl]piperidine-1-carboxamide is sourced from PubChem (CID 97348384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).