(3S)-N-cyclopentyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-sulfonamide

C15H25N3O2S2 — CID 124616089

IUPAC(3S)-N-cyclopentyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-sulfonamide
SMILESCc1ncc(CN2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)s1
InChIInChI=1S/C15H25N3O2S2/c1-12-16-9-14(21-12)10-18-8-4-7-15(11-18)22(19,20)17-13-5-2-3-6-13/h9,13,15,17H,2-8,10-11H2,1H3/t15-/m0/s1
InChIKeyWAGVTVCZWGTDAU-HNNXBMFYSA-N
MW343.52 g/mol
LogP2.28
Rot. Bonds5

About (3S)-N-cyclopentyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-sulfonamide

(3S)-N-cyclopentyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-sulfonamide (PubChem CID 124616089) has the molecular formula C15H25N3O2S2 and a molecular weight of 343.52 g/mol. Its IUPAC name is (3S)-N-cyclopentyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-sulfonamide.

Molecular Properties

Compound Name(3S)-N-cyclopentyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-sulfonamide
PubChem CID124616089
Molecular FormulaC15H25N3O2S2
Molecular Weight343.52 g/mol
Exact Mass343.14
IUPAC Name(3S)-N-cyclopentyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-sulfonamide
SMILESCc1ncc(CN2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)s1
InChIInChI=1S/C15H25N3O2S2/c1-12-16-9-14(21-12)10-18-8-4-7-15(11-18)22(19,20)17-13-5-2-3-6-13/h9,13,15,17H,2-8,10-11H2,1H3/t15-/m0/s1
InChIKeyWAGVTVCZWGTDAU-HNNXBMFYSA-N
XLogP2.28
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.52
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-cyclopentyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-sulfonamide?
The IUPAC name of (3S)-N-cyclopentyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-sulfonamide (CID 124616089) is (3S)-N-cyclopentyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-sulfonamide.
What is the SMILES notation for (3S)-N-cyclopentyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-sulfonamide?
The canonical SMILES for (3S)-N-cyclopentyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-sulfonamide is Cc1ncc(CN2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)s1.
What is the InChIKey of (3S)-N-cyclopentyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-sulfonamide?
The InChIKey is WAGVTVCZWGTDAU-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H25N3O2S2/c1-12-16-9-14(21-12)10-18-8-4-7-15(11-18)22(19,20)17-13-5-2-3-6-13/h9,13,15,17H,2-8,10-11H2,1H3/t15-/m0/s1.
What are the key properties of (3S)-N-cyclopentyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-sulfonamide?
(3S)-N-cyclopentyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-sulfonamide has a molecular weight of 343.52 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-cyclopentyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-sulfonamide is sourced from PubChem (CID 124616089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).