2-(2-methylsulfanylethyl)pyrrolidine

C7H15NS — CID 81142989

IUPAC2-(2-methylsulfanylethyl)pyrrolidine
SMILESCSCCC1CCCN1
InChIInChI=1S/C7H15NS/c1-9-6-4-7-3-2-5-8-7/h7-8H,2-6H2,1H3
InChIKeyPCEYCJCGKDYPFE-UHFFFAOYSA-N
MW145.27 g/mol
LogP1.49
Rot. Bonds3

About 2-(2-methylsulfanylethyl)pyrrolidine

2-(2-methylsulfanylethyl)pyrrolidine (PubChem CID 81142989) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is 2-(2-methylsulfanylethyl)pyrrolidine.

Molecular Properties

Compound Name2-(2-methylsulfanylethyl)pyrrolidine
PubChem CID81142989
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Name2-(2-methylsulfanylethyl)pyrrolidine
SMILESCSCCC1CCCN1
InChIInChI=1S/C7H15NS/c1-9-6-4-7-3-2-5-8-7/h7-8H,2-6H2,1H3
InChIKeyPCEYCJCGKDYPFE-UHFFFAOYSA-N
XLogP1.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methylsulfanylpropyl)pyrrolidine
CID 62479260
(2S)-2-(2-tert-butylsulfanylethyl)pyrrolidine
CID 102419936
N-methyl-N-(2-methylsulfanylethyl)-2-piperidin-2-ylethanamine
CID 112659937
ethane;2-propylpyrrolidine
CID 143349498
ethane;(2R)-2-propylpyrrolidine
CID 155717204
2-(2-cyclopropylethyl)pyrrolidine
CID 23166213
(2S)-2-(2-chloroethyl)pyrrolidine
CID 11367237
2-pyrrolidin-2-ylethanamine
CID 14030009
(2S)-2-[2-(1-adamantylsulfanyl)ethyl]pyrrolidine
CID 102419933
trimethyl-[[(2S)-pyrrolidin-2-yl]methyl]azanium
CID 10986547
(2S)-2-hexylpyrrolidine
CID 7047826
N,N-dimethyl-2-[(2S)-pyrrolidin-2-yl]ethanamine;dihydrochloride
CID 155100868

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfanylethyl)pyrrolidine?
The IUPAC name of 2-(2-methylsulfanylethyl)pyrrolidine (CID 81142989) is 2-(2-methylsulfanylethyl)pyrrolidine.
What is the SMILES notation for 2-(2-methylsulfanylethyl)pyrrolidine?
The canonical SMILES for 2-(2-methylsulfanylethyl)pyrrolidine is CSCCC1CCCN1.
What is the InChIKey of 2-(2-methylsulfanylethyl)pyrrolidine?
The InChIKey is PCEYCJCGKDYPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS/c1-9-6-4-7-3-2-5-8-7/h7-8H,2-6H2,1H3.
What are the key properties of 2-(2-methylsulfanylethyl)pyrrolidine?
2-(2-methylsulfanylethyl)pyrrolidine has a molecular weight of 145.27 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfanylethyl)pyrrolidine is sourced from PubChem (CID 81142989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).