N-ethyl-2-methyl-3-methylsulfanylcyclopentan-1-amine

C9H19NS — CID 64904528

IUPACN-ethyl-2-methyl-3-methylsulfanylcyclopentan-1-amine
SMILESCCNC1CCC(SC)C1C
InChIInChI=1S/C9H19NS/c1-4-10-8-5-6-9(11-3)7(8)2/h7-10H,4-6H2,1-3H3
InChIKeyMMIIXQYWROYZKT-UHFFFAOYSA-N
MW173.32 g/mol
LogP2.13
Rot. Bonds3

About N-ethyl-2-methyl-3-methylsulfanylcyclopentan-1-amine

N-ethyl-2-methyl-3-methylsulfanylcyclopentan-1-amine (PubChem CID 64904528) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is N-ethyl-2-methyl-3-methylsulfanylcyclopentan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-3-methylsulfanylcyclopentan-1-amine
PubChem CID64904528
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC NameN-ethyl-2-methyl-3-methylsulfanylcyclopentan-1-amine
SMILESCCNC1CCC(SC)C1C
InChIInChI=1S/C9H19NS/c1-4-10-8-5-6-9(11-3)7(8)2/h7-10H,4-6H2,1-3H3
InChIKeyMMIIXQYWROYZKT-UHFFFAOYSA-N
XLogP2.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-ethyl-2-methyl-3-methylsulfanylcyclopentan-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 N-ethyl-2-methyl-3-methylsulfanylcyclopentan-1-amine?
The IUPAC name of N-ethyl-2-methyl-3-methylsulfanylcyclopentan-1-amine (CID 64904528) is N-ethyl-2-methyl-3-methylsulfanylcyclopentan-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-3-methylsulfanylcyclopentan-1-amine?
The canonical SMILES for N-ethyl-2-methyl-3-methylsulfanylcyclopentan-1-amine is CCNC1CCC(SC)C1C.
What is the InChIKey of N-ethyl-2-methyl-3-methylsulfanylcyclopentan-1-amine?
The InChIKey is MMIIXQYWROYZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-4-10-8-5-6-9(11-3)7(8)2/h7-10H,4-6H2,1-3H3.
What are the key properties of N-ethyl-2-methyl-3-methylsulfanylcyclopentan-1-amine?
N-ethyl-2-methyl-3-methylsulfanylcyclopentan-1-amine has a molecular weight of 173.32 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-3-methylsulfanylcyclopentan-1-amine is sourced from PubChem (CID 64904528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).