N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]cyclopentanesulfonamide

C13H23N3O2S2 — CID 105361028

IUPACN-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]cyclopentanesulfonamide
SMILESCCCNC(C)c1csc(NS(=O)(=O)C2CCCC2)n1
InChIInChI=1S/C13H23N3O2S2/c1-3-8-14-10(2)12-9-19-13(15-12)16-20(17,18)11-6-4-5-7-11/h9-11,14H,3-8H2,1-2H3,(H,15,16)
InChIKeyUZMWQLUVBGSECY-UHFFFAOYSA-N
MW317.48 g/mol
LogP2.89
Rot. Bonds7

About N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]cyclopentanesulfonamide

N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]cyclopentanesulfonamide (PubChem CID 105361028) has the molecular formula C13H23N3O2S2 and a molecular weight of 317.48 g/mol. Its IUPAC name is N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]cyclopentanesulfonamide.

Molecular Properties

Compound NameN-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]cyclopentanesulfonamide
PubChem CID105361028
Molecular FormulaC13H23N3O2S2
Molecular Weight317.48 g/mol
Exact Mass317.12
IUPAC NameN-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]cyclopentanesulfonamide
SMILESCCCNC(C)c1csc(NS(=O)(=O)C2CCCC2)n1
InChIInChI=1S/C13H23N3O2S2/c1-3-8-14-10(2)12-9-19-13(15-12)16-20(17,18)11-6-4-5-7-11/h9-11,14H,3-8H2,1-2H3,(H,15,16)
InChIKeyUZMWQLUVBGSECY-UHFFFAOYSA-N
XLogP2.89
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]cyclopentanesulfonamide?
The IUPAC name of N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]cyclopentanesulfonamide (CID 105361028) is N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]cyclopentanesulfonamide.
What is the SMILES notation for N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]cyclopentanesulfonamide?
The canonical SMILES for N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]cyclopentanesulfonamide is CCCNC(C)c1csc(NS(=O)(=O)C2CCCC2)n1.
What is the InChIKey of N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]cyclopentanesulfonamide?
The InChIKey is UZMWQLUVBGSECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S2/c1-3-8-14-10(2)12-9-19-13(15-12)16-20(17,18)11-6-4-5-7-11/h9-11,14H,3-8H2,1-2H3,(H,15,16).
What are the key properties of N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]cyclopentanesulfonamide?
N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]cyclopentanesulfonamide has a molecular weight of 317.48 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]cyclopentanesulfonamide is sourced from PubChem (CID 105361028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).