3-methylsulfanyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine

C10H22N2S — CID 28654137

IUPAC3-methylsulfanyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine
SMILESCSCCCNCCN1CCCC1
InChIInChI=1S/C10H22N2S/c1-13-10-4-5-11-6-9-12-7-2-3-8-12/h11H,2-10H2,1H3
InChIKeyMKSJKVUDTXZEER-UHFFFAOYSA-N
MW202.37 g/mol
LogP1.42
Rot. Bonds7

About 3-methylsulfanyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine

3-methylsulfanyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine (PubChem CID 28654137) has the molecular formula C10H22N2S and a molecular weight of 202.37 g/mol. Its IUPAC name is 3-methylsulfanyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine.

Molecular Properties

Compound Name3-methylsulfanyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine
PubChem CID28654137
Molecular FormulaC10H22N2S
Molecular Weight202.37 g/mol
Exact Mass202.15
IUPAC Name3-methylsulfanyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine
SMILESCSCCCNCCN1CCCC1
InChIInChI=1S/C10H22N2S/c1-13-10-4-5-11-6-9-12-7-2-3-8-12/h11H,2-10H2,1H3
InChIKeyMKSJKVUDTXZEER-UHFFFAOYSA-N
XLogP1.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.37
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-methylsulfanyl-N-(2-pyrrolidin-1-ylethyl)propan-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

Related Compounds

2-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 19869583
N-(2-pyrrolidin-1-ylethyl)pentan-1-amine
CID 28654194
N-[2-(azepan-1-yl)ethyl]hexan-1-amine
CID 61239608
2-methyl-1-(3-methylsulfanylpropyl)-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111787582
3-(2-piperidin-1-ylethylamino)propan-1-ol
CID 53211307
N-[2-(azepan-1-yl)ethyl]-4-methylpentan-1-amine
CID 62575903
3-(2-methylpiperidin-1-yl)-N-(3-methylsulfanylpropyl)propan-1-amine
CID 43180624
N-propyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 53215588
1-[3-(azepan-1-yl)propyl]-2-methyl-3-(3-methylsulfanylpropyl)guanidine
CID 111784975
N'-[2-(azepan-1-yl)ethyl]ethane-1,2-diamine;trihydrochloride
CID 119031355
2-methyl-2-methylsulfanyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine
CID 107911941
5-(2-piperidin-1-ylethylamino)pentan-1-ol
CID 62227725

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine?
The IUPAC name of 3-methylsulfanyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine (CID 28654137) is 3-methylsulfanyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine.
What is the SMILES notation for 3-methylsulfanyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine?
The canonical SMILES for 3-methylsulfanyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine is CSCCCNCCN1CCCC1.
What is the InChIKey of 3-methylsulfanyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine?
The InChIKey is MKSJKVUDTXZEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2S/c1-13-10-4-5-11-6-9-12-7-2-3-8-12/h11H,2-10H2,1H3.
What are the key properties of 3-methylsulfanyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine?
3-methylsulfanyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine has a molecular weight of 202.37 g/mol, XLogP of 1.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine is sourced from PubChem (CID 28654137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).