1-(2-methylsulfanylpropyl)pyrrolidine

C8H17NS — CID 130223943

IUPAC1-(2-methylsulfanylpropyl)pyrrolidine
SMILESCSC(C)CN1CCCC1
InChIInChI=1S/C8H17NS/c1-8(10-2)7-9-5-3-4-6-9/h8H,3-7H2,1-2H3
InChIKeyQZDSVBDPCYUANL-UHFFFAOYSA-N
MW159.30 g/mol
LogP1.83
Rot. Bonds3

About 1-(2-methylsulfanylpropyl)pyrrolidine

1-(2-methylsulfanylpropyl)pyrrolidine (PubChem CID 130223943) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is 1-(2-methylsulfanylpropyl)pyrrolidine.

Molecular Properties

Compound Name1-(2-methylsulfanylpropyl)pyrrolidine
PubChem CID130223943
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name1-(2-methylsulfanylpropyl)pyrrolidine
SMILESCSC(C)CN1CCCC1
InChIInChI=1S/C8H17NS/c1-8(10-2)7-9-5-3-4-6-9/h8H,3-7H2,1-2H3
InChIKeyQZDSVBDPCYUANL-UHFFFAOYSA-N
XLogP1.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2-methylsulfanylpropyl)pyrrolidine 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

2,3,5-Trimethyl-1,3-thiazolidine
CID 90934568
2-(3-Fluoropyrrolidin-1-yl)ethyl-dimethyl-methylsulfanyl-lambda4-sulfane
CID 123716091
(3R)-3-fluoro-1-(1-methylsulfanylethyl)pyrrolidine
CID 134184047
3-Fluoro-1-(2-methylsulfanylpropan-2-yl)pyrrolidine
CID 139342132
3-Tert-butylsulfanyl-1-(3-fluoropropyl)pyrrolidine
CID 178956942
InChI=1/C7H15NS/c1-2-3-4-8-5-6-9-7-8/h2-7H2,1H
CID 5325806
2,2,5-Trimethyl-3-ethylthiazolidine
CID 12654790
1-(2-(Ethylthio)propyl)pyrrolidine-2-thione
CID 45118555
1-[3-(Propylthio)propyl]-2-pyrrolidinethione
CID 129806339
1-[2-(Ethylthio)ethyl]-2-pyrrolidinethione
CID 129806383
1-[2-(Propylthio)propyl]-2-pyrrolidinethione
CID 129806519
3-(3-Butylsulfanylpropyl)-1,3-thiazolidine
CID 3038843

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfanylpropyl)pyrrolidine?
The IUPAC name of 1-(2-methylsulfanylpropyl)pyrrolidine (CID 130223943) is 1-(2-methylsulfanylpropyl)pyrrolidine.
What is the SMILES notation for 1-(2-methylsulfanylpropyl)pyrrolidine?
The canonical SMILES for 1-(2-methylsulfanylpropyl)pyrrolidine is CSC(C)CN1CCCC1.
What is the InChIKey of 1-(2-methylsulfanylpropyl)pyrrolidine?
The InChIKey is QZDSVBDPCYUANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-8(10-2)7-9-5-3-4-6-9/h8H,3-7H2,1-2H3.
What are the key properties of 1-(2-methylsulfanylpropyl)pyrrolidine?
1-(2-methylsulfanylpropyl)pyrrolidine has a molecular weight of 159.30 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfanylpropyl)pyrrolidine is sourced from PubChem (CID 130223943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).