N-ethyl-N-(3-methylsulfanylpropyl)pyrrolidin-3-amine

C10H22N2S — CID 63299689

IUPACN-ethyl-N-(3-methylsulfanylpropyl)pyrrolidin-3-amine
SMILESCCN(CCCSC)C1CCNC1
InChIInChI=1S/C10H22N2S/c1-3-12(7-4-8-13-2)10-5-6-11-9-10/h10-11H,3-9H2,1-2H3
InChIKeyQUBKRGMWMAZFLL-UHFFFAOYSA-N
MW202.37 g/mol
LogP1.42
Rot. Bonds6

About N-ethyl-N-(3-methylsulfanylpropyl)pyrrolidin-3-amine

N-ethyl-N-(3-methylsulfanylpropyl)pyrrolidin-3-amine (PubChem CID 63299689) has the molecular formula C10H22N2S and a molecular weight of 202.37 g/mol. Its IUPAC name is N-ethyl-N-(3-methylsulfanylpropyl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-ethyl-N-(3-methylsulfanylpropyl)pyrrolidin-3-amine
PubChem CID63299689
Molecular FormulaC10H22N2S
Molecular Weight202.37 g/mol
Exact Mass202.15
IUPAC NameN-ethyl-N-(3-methylsulfanylpropyl)pyrrolidin-3-amine
SMILESCCN(CCCSC)C1CCNC1
InChIInChI=1S/C10H22N2S/c1-3-12(7-4-8-13-2)10-5-6-11-9-10/h10-11H,3-9H2,1-2H3
InChIKeyQUBKRGMWMAZFLL-UHFFFAOYSA-N
XLogP1.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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 N-ethyl-N-(3-methylsulfanylpropyl)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

N-ethyl-N-(3-methylsulfanylpropyl)azetidin-3-amine
CID 66182079
N-ethyl-N-pentylpyrrolidin-3-amine
CID 63299512
N-ethyl-N-nonylpyrrolidin-3-amine
CID 63300432
(3S)-N,N-diethylpyrrolidin-3-amine
CID 30722524
N-(3-ethylsulfanylpropyl)-N-propylpyrrolidin-3-amine
CID 115741376
2-[ethyl(pyrrolidin-3-yl)amino]ethanol
CID 56831602
N-(2-ethoxyethyl)-N-ethylpyrrolidin-3-amine
CID 63300351
N-ethyl-N-(2-ethylsulfonylethyl)pyrrolidin-3-amine
CID 63299823
N-ethyl-N-propylpiperidin-3-amine
CID 43317075
4-[ethyl(pyrrolidin-3-yl)amino]-1-morpholin-4-ylbutan-1-one
CID 63299400
N-ethyl-N-(4,4,4-trifluorobutyl)piperidin-3-amine
CID 115514896
N-ethyl-N-(2-piperidin-1-ylethyl)pyrrolidin-3-amine
CID 63299869

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-methylsulfanylpropyl)pyrrolidin-3-amine?
The IUPAC name of N-ethyl-N-(3-methylsulfanylpropyl)pyrrolidin-3-amine (CID 63299689) is N-ethyl-N-(3-methylsulfanylpropyl)pyrrolidin-3-amine.
What is the SMILES notation for N-ethyl-N-(3-methylsulfanylpropyl)pyrrolidin-3-amine?
The canonical SMILES for N-ethyl-N-(3-methylsulfanylpropyl)pyrrolidin-3-amine is CCN(CCCSC)C1CCNC1.
What is the InChIKey of N-ethyl-N-(3-methylsulfanylpropyl)pyrrolidin-3-amine?
The InChIKey is QUBKRGMWMAZFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2S/c1-3-12(7-4-8-13-2)10-5-6-11-9-10/h10-11H,3-9H2,1-2H3.
What are the key properties of N-ethyl-N-(3-methylsulfanylpropyl)pyrrolidin-3-amine?
N-ethyl-N-(3-methylsulfanylpropyl)pyrrolidin-3-amine has a molecular weight of 202.37 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-methylsulfanylpropyl)pyrrolidin-3-amine is sourced from PubChem (CID 63299689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).