N-(3-ethylsulfanylpropyl)-N-propylpyrrolidin-3-amine

C12H26N2S — CID 115741376

IUPACN-(3-ethylsulfanylpropyl)-N-propylpyrrolidin-3-amine
SMILESCCCN(CCCSCC)C1CCNC1
InChIInChI=1S/C12H26N2S/c1-3-8-14(9-5-10-15-4-2)12-6-7-13-11-12/h12-13H,3-11H2,1-2H3
InChIKeyTZWVHXPJIXAFQP-UHFFFAOYSA-N
MW230.42 g/mol
LogP2.20
Rot. Bonds8

About N-(3-ethylsulfanylpropyl)-N-propylpyrrolidin-3-amine

N-(3-ethylsulfanylpropyl)-N-propylpyrrolidin-3-amine (PubChem CID 115741376) has the molecular formula C12H26N2S and a molecular weight of 230.42 g/mol. Its IUPAC name is N-(3-ethylsulfanylpropyl)-N-propylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-(3-ethylsulfanylpropyl)-N-propylpyrrolidin-3-amine
PubChem CID115741376
Molecular FormulaC12H26N2S
Molecular Weight230.42 g/mol
Exact Mass230.18
IUPAC NameN-(3-ethylsulfanylpropyl)-N-propylpyrrolidin-3-amine
SMILESCCCN(CCCSCC)C1CCNC1
InChIInChI=1S/C12H26N2S/c1-3-8-14(9-5-10-15-4-2)12-6-7-13-11-12/h12-13H,3-11H2,1-2H3
InChIKeyTZWVHXPJIXAFQP-UHFFFAOYSA-N
XLogP2.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-ethylsulfanylpropyl)-N-propylpyrrolidin-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

N-ethyl-N-(3-methylsulfanylpropyl)pyrrolidin-3-amine
CID 63299689
N-ethyl-N-pentylpyrrolidin-3-amine
CID 63299512
N-ethyl-N-nonylpyrrolidin-3-amine
CID 63300432
N-propyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine;hydrochloride
CID 119934792
N-hept-6-enyl-N-propylpiperidin-3-amine
CID 107008007
(3S)-N,N-diethylpyrrolidin-3-amine
CID 30722524
N-(2-phenylsulfanylethyl)-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921375
N-ethyl-N-propylpiperidin-3-amine
CID 43317075
3-[cyclopropyl(3-ethylsulfanylpropyl)amino]propanenitrile
CID 115666797
N-(4-methoxybutyl)-N-propylpiperidin-4-amine
CID 115741630
3-[azetidin-3-yl(propyl)amino]propan-1-ol
CID 66215108
N-benzyl-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921759

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylsulfanylpropyl)-N-propylpyrrolidin-3-amine?
The IUPAC name of N-(3-ethylsulfanylpropyl)-N-propylpyrrolidin-3-amine (CID 115741376) is N-(3-ethylsulfanylpropyl)-N-propylpyrrolidin-3-amine.
What is the SMILES notation for N-(3-ethylsulfanylpropyl)-N-propylpyrrolidin-3-amine?
The canonical SMILES for N-(3-ethylsulfanylpropyl)-N-propylpyrrolidin-3-amine is CCCN(CCCSCC)C1CCNC1.
What is the InChIKey of N-(3-ethylsulfanylpropyl)-N-propylpyrrolidin-3-amine?
The InChIKey is TZWVHXPJIXAFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2S/c1-3-8-14(9-5-10-15-4-2)12-6-7-13-11-12/h12-13H,3-11H2,1-2H3.
What are the key properties of N-(3-ethylsulfanylpropyl)-N-propylpyrrolidin-3-amine?
N-(3-ethylsulfanylpropyl)-N-propylpyrrolidin-3-amine has a molecular weight of 230.42 g/mol, XLogP of 2.20, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylsulfanylpropyl)-N-propylpyrrolidin-3-amine is sourced from PubChem (CID 115741376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).