2-methylsulfonyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)-N-propylcyclopentan-1-amine

C15H26N2O2S2 — CID 65045364

IUPAC2-methylsulfonyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)-N-propylcyclopentan-1-amine
SMILESCCCNC1(c2nc(C(C)C)cs2)CCCC1S(C)(=O)=O
InChIInChI=1S/C15H26N2O2S2/c1-5-9-16-15(8-6-7-13(15)21(4,18)19)14-17-12(10-20-14)11(2)3/h10-11,13,16H,5-9H2,1-4H3
InChIKeyRSJJHCBATPBVIE-UHFFFAOYSA-N
MW330.52 g/mol
LogP3.06
Rot. Bonds6

About 2-methylsulfonyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)-N-propylcyclopentan-1-amine

2-methylsulfonyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)-N-propylcyclopentan-1-amine (PubChem CID 65045364) has the molecular formula C15H26N2O2S2 and a molecular weight of 330.52 g/mol. Its IUPAC name is 2-methylsulfonyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name2-methylsulfonyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)-N-propylcyclopentan-1-amine
PubChem CID65045364
Molecular FormulaC15H26N2O2S2
Molecular Weight330.52 g/mol
Exact Mass330.14
IUPAC Name2-methylsulfonyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)-N-propylcyclopentan-1-amine
SMILESCCCNC1(c2nc(C(C)C)cs2)CCCC1S(C)(=O)=O
InChIInChI=1S/C15H26N2O2S2/c1-5-9-16-15(8-6-7-13(15)21(4,18)19)14-17-12(10-20-14)11(2)3/h10-11,13,16H,5-9H2,1-4H3
InChIKeyRSJJHCBATPBVIE-UHFFFAOYSA-N
XLogP3.06
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.52
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methylsulfonyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)-N-propylcyclopentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)-N-propylcyclopentan-1-amine?
The IUPAC name of 2-methylsulfonyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)-N-propylcyclopentan-1-amine (CID 65045364) is 2-methylsulfonyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)-N-propylcyclopentan-1-amine.
What is the SMILES notation for 2-methylsulfonyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)-N-propylcyclopentan-1-amine?
The canonical SMILES for 2-methylsulfonyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)-N-propylcyclopentan-1-amine is CCCNC1(c2nc(C(C)C)cs2)CCCC1S(C)(=O)=O.
What is the InChIKey of 2-methylsulfonyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)-N-propylcyclopentan-1-amine?
The InChIKey is RSJJHCBATPBVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S2/c1-5-9-16-15(8-6-7-13(15)21(4,18)19)14-17-12(10-20-14)11(2)3/h10-11,13,16H,5-9H2,1-4H3.
What are the key properties of 2-methylsulfonyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)-N-propylcyclopentan-1-amine?
2-methylsulfonyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)-N-propylcyclopentan-1-amine has a molecular weight of 330.52 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)-N-propylcyclopentan-1-amine is sourced from PubChem (CID 65045364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).