N-(2-ethylsulfanylphenyl)pyrrolidin-3-amine

C12H18N2S — CID 79731060

IUPACN-(2-ethylsulfanylphenyl)pyrrolidin-3-amine
SMILESCCSc1ccccc1NC1CCNC1
InChIInChI=1S/C12H18N2S/c1-2-15-12-6-4-3-5-11(12)14-10-7-8-13-9-10/h3-6,10,13-14H,2,7-9H2,1H3
InChIKeyWXPKOBRGXBIBRN-UHFFFAOYSA-N
MW222.36 g/mol
LogP2.57
Rot. Bonds4

About N-(2-ethylsulfanylphenyl)pyrrolidin-3-amine

N-(2-ethylsulfanylphenyl)pyrrolidin-3-amine (PubChem CID 79731060) has the molecular formula C12H18N2S and a molecular weight of 222.36 g/mol. Its IUPAC name is N-(2-ethylsulfanylphenyl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-(2-ethylsulfanylphenyl)pyrrolidin-3-amine
PubChem CID79731060
Molecular FormulaC12H18N2S
Molecular Weight222.36 g/mol
Exact Mass222.12
IUPAC NameN-(2-ethylsulfanylphenyl)pyrrolidin-3-amine
SMILESCCSc1ccccc1NC1CCNC1
InChIInChI=1S/C12H18N2S/c1-2-15-12-6-4-3-5-11(12)14-10-7-8-13-9-10/h3-6,10,13-14H,2,7-9H2,1H3
InChIKeyWXPKOBRGXBIBRN-UHFFFAOYSA-N
XLogP2.57
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-ethylsulfanylphenyl)pyrrolidin-3-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-ethylsulfanyl-6-(pyrrolidin-3-ylamino)benzonitrile
CID 113385998
N-(2-methylphenyl)pyrrolidin-3-amine
CID 79725314
2-ethylsulfanyl-6-(piperidin-4-ylamino)benzonitrile
CID 113385991
N-(2-ethylsulfanylphenyl)oxolan-3-amine
CID 63335369
N-(2-ethylsulfanylphenyl)-1-(2-methylpropyl)piperidin-4-amine
CID 103936271
N-(2-bromophenyl)pyrrolidin-3-amine
CID 66545624
N-(2-chlorophenyl)pyrrolidin-3-amine
CID 66545622
4-(2-ethylsulfanylanilino)azepan-2-one
CID 63887912
N-(2-propylsulfonylphenyl)pyrrolidin-3-amine
CID 62380993
4-ethyl-N-(2-ethylsulfanylphenyl)cycloheptan-1-amine
CID 65083155
N-(2-ethylphenyl)azepan-3-amine
CID 102076155
N-(2-ethylsulfanylphenyl)-2,2-dimethyl-1,3-dioxan-5-amine
CID 106658623

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfanylphenyl)pyrrolidin-3-amine?
The IUPAC name of N-(2-ethylsulfanylphenyl)pyrrolidin-3-amine (CID 79731060) is N-(2-ethylsulfanylphenyl)pyrrolidin-3-amine.
What is the SMILES notation for N-(2-ethylsulfanylphenyl)pyrrolidin-3-amine?
The canonical SMILES for N-(2-ethylsulfanylphenyl)pyrrolidin-3-amine is CCSc1ccccc1NC1CCNC1.
What is the InChIKey of N-(2-ethylsulfanylphenyl)pyrrolidin-3-amine?
The InChIKey is WXPKOBRGXBIBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2S/c1-2-15-12-6-4-3-5-11(12)14-10-7-8-13-9-10/h3-6,10,13-14H,2,7-9H2,1H3.
What are the key properties of N-(2-ethylsulfanylphenyl)pyrrolidin-3-amine?
N-(2-ethylsulfanylphenyl)pyrrolidin-3-amine has a molecular weight of 222.36 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfanylphenyl)pyrrolidin-3-amine is sourced from PubChem (CID 79731060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).