2-[(1-phenylsulfanylcyclopentyl)methylamino]-1,3-thiazole-5-sulfonamide

C15H19N3O2S3 — CID 133296770

IUPAC2-[(1-phenylsulfanylcyclopentyl)methylamino]-1,3-thiazole-5-sulfonamide
SMILESNS(=O)(=O)c1cnc(NCC2(Sc3ccccc3)CCCC2)s1
InChIInChI=1S/C15H19N3O2S3/c16-23(19,20)13-10-17-14(21-13)18-11-15(8-4-5-9-15)22-12-6-2-1-3-7-12/h1-3,6-7,10H,4-5,8-9,11H2,(H,17,18)(H2,16,19,20)
InChIKeyRVKAHFBRDWANQJ-UHFFFAOYSA-N
MW369.54 g/mol
LogP3.31
Rot. Bonds6

About 2-[(1-phenylsulfanylcyclopentyl)methylamino]-1,3-thiazole-5-sulfonamide

2-[(1-phenylsulfanylcyclopentyl)methylamino]-1,3-thiazole-5-sulfonamide (PubChem CID 133296770) has the molecular formula C15H19N3O2S3 and a molecular weight of 369.54 g/mol. Its IUPAC name is 2-[(1-phenylsulfanylcyclopentyl)methylamino]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-[(1-phenylsulfanylcyclopentyl)methylamino]-1,3-thiazole-5-sulfonamide
PubChem CID133296770
Molecular FormulaC15H19N3O2S3
Molecular Weight369.54 g/mol
Exact Mass369.06
IUPAC Name2-[(1-phenylsulfanylcyclopentyl)methylamino]-1,3-thiazole-5-sulfonamide
SMILESNS(=O)(=O)c1cnc(NCC2(Sc3ccccc3)CCCC2)s1
InChIInChI=1S/C15H19N3O2S3/c16-23(19,20)13-10-17-14(21-13)18-11-15(8-4-5-9-15)22-12-6-2-1-3-7-12/h1-3,6-7,10H,4-5,8-9,11H2,(H,17,18)(H2,16,19,20)
InChIKeyRVKAHFBRDWANQJ-UHFFFAOYSA-N
XLogP3.31
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.54
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-phenylsulfanylcyclopentyl)methylamino]-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-[(1-phenylsulfanylcyclopentyl)methylamino]-1,3-thiazole-5-sulfonamide (CID 133296770) is 2-[(1-phenylsulfanylcyclopentyl)methylamino]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-[(1-phenylsulfanylcyclopentyl)methylamino]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-[(1-phenylsulfanylcyclopentyl)methylamino]-1,3-thiazole-5-sulfonamide is NS(=O)(=O)c1cnc(NCC2(Sc3ccccc3)CCCC2)s1.
What is the InChIKey of 2-[(1-phenylsulfanylcyclopentyl)methylamino]-1,3-thiazole-5-sulfonamide?
The InChIKey is RVKAHFBRDWANQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S3/c16-23(19,20)13-10-17-14(21-13)18-11-15(8-4-5-9-15)22-12-6-2-1-3-7-12/h1-3,6-7,10H,4-5,8-9,11H2,(H,17,18)(H2,16,19,20).
What are the key properties of 2-[(1-phenylsulfanylcyclopentyl)methylamino]-1,3-thiazole-5-sulfonamide?
2-[(1-phenylsulfanylcyclopentyl)methylamino]-1,3-thiazole-5-sulfonamide has a molecular weight of 369.54 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-phenylsulfanylcyclopentyl)methylamino]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 133296770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).