3-tert-butylsulfanyl-N,2-dimethylcyclopentan-1-amine

C11H23NS — CID 64906331

IUPAC3-tert-butylsulfanyl-N,2-dimethylcyclopentan-1-amine
SMILESCNC1CCC(SC(C)(C)C)C1C
InChIInChI=1S/C11H23NS/c1-8-9(12-5)6-7-10(8)13-11(2,3)4/h8-10,12H,6-7H2,1-5H3
InChIKeyHVAGLPCLWQPETL-UHFFFAOYSA-N
MW201.38 g/mol
LogP2.90
Rot. Bonds2

About 3-tert-butylsulfanyl-N,2-dimethylcyclopentan-1-amine

3-tert-butylsulfanyl-N,2-dimethylcyclopentan-1-amine (PubChem CID 64906331) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is 3-tert-butylsulfanyl-N,2-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name3-tert-butylsulfanyl-N,2-dimethylcyclopentan-1-amine
PubChem CID64906331
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC Name3-tert-butylsulfanyl-N,2-dimethylcyclopentan-1-amine
SMILESCNC1CCC(SC(C)(C)C)C1C
InChIInChI=1S/C11H23NS/c1-8-9(12-5)6-7-10(8)13-11(2,3)4/h8-10,12H,6-7H2,1-5H3
InChIKeyHVAGLPCLWQPETL-UHFFFAOYSA-N
XLogP2.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-tert-butylsulfanyl-N,2-dimethylcyclopentan-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 3-tert-butylsulfanyl-N,2-dimethylcyclopentan-1-amine?
The IUPAC name of 3-tert-butylsulfanyl-N,2-dimethylcyclopentan-1-amine (CID 64906331) is 3-tert-butylsulfanyl-N,2-dimethylcyclopentan-1-amine.
What is the SMILES notation for 3-tert-butylsulfanyl-N,2-dimethylcyclopentan-1-amine?
The canonical SMILES for 3-tert-butylsulfanyl-N,2-dimethylcyclopentan-1-amine is CNC1CCC(SC(C)(C)C)C1C.
What is the InChIKey of 3-tert-butylsulfanyl-N,2-dimethylcyclopentan-1-amine?
The InChIKey is HVAGLPCLWQPETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-8-9(12-5)6-7-10(8)13-11(2,3)4/h8-10,12H,6-7H2,1-5H3.
What are the key properties of 3-tert-butylsulfanyl-N,2-dimethylcyclopentan-1-amine?
3-tert-butylsulfanyl-N,2-dimethylcyclopentan-1-amine has a molecular weight of 201.38 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butylsulfanyl-N,2-dimethylcyclopentan-1-amine is sourced from PubChem (CID 64906331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).