3-(cyclopropylsulfanylmethyl)pyrrolidine

C8H15NS — CID 84650659

IUPAC3-(cyclopropylsulfanylmethyl)pyrrolidine
SMILESC1CC(CSC2CC2)CN1
InChIInChI=1S/C8H15NS/c1-2-8(1)10-6-7-3-4-9-5-7/h7-9H,1-6H2
InChIKeySNAJCOWEDPUPJM-UHFFFAOYSA-N
MW157.28 g/mol
LogP1.49
Rot. Bonds3

About 3-(cyclopropylsulfanylmethyl)pyrrolidine

3-(cyclopropylsulfanylmethyl)pyrrolidine (PubChem CID 84650659) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 3-(cyclopropylsulfanylmethyl)pyrrolidine.

Molecular Properties

Compound Name3-(cyclopropylsulfanylmethyl)pyrrolidine
PubChem CID84650659
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name3-(cyclopropylsulfanylmethyl)pyrrolidine
SMILESC1CC(CSC2CC2)CN1
InChIInChI=1S/C8H15NS/c1-2-8(1)10-6-7-3-4-9-5-7/h7-9H,1-6H2
InChIKeySNAJCOWEDPUPJM-UHFFFAOYSA-N
XLogP1.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-(methylsulfanylmethyl)pyrrolidine
CID 90143250
3-(tert-butylsulfanylmethyl)pyrrolidine
CID 62371966
(3R)-3-[2-[(3R)-pyrrolidin-3-yl]ethyl]pyrrolidine
CID 129415517
2-pyrrolidin-3-ylacetic acid;hydrochloride
CID 42614151
ethane;3-ethylpyrrolidine
CID 143803201
3-(oxolan-2-ylmethylsulfanylmethyl)pyrrolidine
CID 106495448
3-(methylsulfanylmethyl)piperidine
CID 22276228
ethane;pyrrolidin-3-ylmethanamine
CID 142426131
3-(2-iodoethyl)pyrrolidine
CID 71648953
3-(cyclopentylmethylsulfanyl)azetidine
CID 63120225
N-(2-cyclopropylsulfanylethyl)pyrrolidin-3-amine
CID 84660689
4-(pyrrolidin-3-ylmethylsulfanyl)pyridine;hydrochloride
CID 71303201

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylsulfanylmethyl)pyrrolidine?
The IUPAC name of 3-(cyclopropylsulfanylmethyl)pyrrolidine (CID 84650659) is 3-(cyclopropylsulfanylmethyl)pyrrolidine.
What is the SMILES notation for 3-(cyclopropylsulfanylmethyl)pyrrolidine?
The canonical SMILES for 3-(cyclopropylsulfanylmethyl)pyrrolidine is C1CC(CSC2CC2)CN1.
What is the InChIKey of 3-(cyclopropylsulfanylmethyl)pyrrolidine?
The InChIKey is SNAJCOWEDPUPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-2-8(1)10-6-7-3-4-9-5-7/h7-9H,1-6H2.
What are the key properties of 3-(cyclopropylsulfanylmethyl)pyrrolidine?
3-(cyclopropylsulfanylmethyl)pyrrolidine has a molecular weight of 157.28 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 3-(cyclopropylsulfanylmethyl)pyrrolidine is sourced from PubChem (CID 84650659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).