(3R)-3-(methylsulfanylmethyl)pyrrolidine

C6H13NS — CID 90143250

IUPAC(3R)-3-(methylsulfanylmethyl)pyrrolidine
SMILESCSC[C@@H]1CCNC1
InChIInChI=1S/C6H13NS/c1-8-5-6-2-3-7-4-6/h6-7H,2-5H2,1H3/t6-/m1/s1
InChIKeyDLRXQZPIZMUQQC-ZCFIWIBFSA-N
MW131.24 g/mol
LogP0.96
Rot. Bonds2

About (3R)-3-(methylsulfanylmethyl)pyrrolidine

(3R)-3-(methylsulfanylmethyl)pyrrolidine (PubChem CID 90143250) has the molecular formula C6H13NS and a molecular weight of 131.24 g/mol. Its IUPAC name is (3R)-3-(methylsulfanylmethyl)pyrrolidine.

Molecular Properties

Compound Name(3R)-3-(methylsulfanylmethyl)pyrrolidine
PubChem CID90143250
Molecular FormulaC6H13NS
Molecular Weight131.24 g/mol
Exact Mass131.08
IUPAC Name(3R)-3-(methylsulfanylmethyl)pyrrolidine
SMILESCSC[C@@H]1CCNC1
InChIInChI=1S/C6H13NS/c1-8-5-6-2-3-7-4-6/h6-7H,2-5H2,1H3/t6-/m1/s1
InChIKeyDLRXQZPIZMUQQC-ZCFIWIBFSA-N
XLogP0.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.24
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(methylsulfanylmethyl)piperidine
CID 22276228
(3S)-3-(methylsulfanylmethyl)piperidine;hydrochloride
CID 169179223
3-(cyclopropylsulfanylmethyl)pyrrolidine
CID 84650659
3-(tert-butylsulfanylmethyl)pyrrolidine
CID 62371966
N-methylsulfanyl-1-pyrrolidin-3-ylmethanamine
CID 153331663
(3R)-3-[2-[(3R)-pyrrolidin-3-yl]ethyl]pyrrolidine
CID 129415517
ethane;3-ethylpyrrolidine
CID 143803201
ethane;pyrrolidin-3-ylmethanamine
CID 142426131
ethane;3-ethylpyrrolidine;molecular hydrogen
CID 143963843
3-[(2-chlorophenyl)sulfanylmethyl]pyrrolidine
CID 62370752
4-methyl-2-(pyrrolidin-3-ylmethylsulfanyl)pyrimidine
CID 62371819
2-(methylsulfanylmethyl)piperazine
CID 55253252

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(methylsulfanylmethyl)pyrrolidine?
The IUPAC name of (3R)-3-(methylsulfanylmethyl)pyrrolidine (CID 90143250) is (3R)-3-(methylsulfanylmethyl)pyrrolidine.
What is the SMILES notation for (3R)-3-(methylsulfanylmethyl)pyrrolidine?
The canonical SMILES for (3R)-3-(methylsulfanylmethyl)pyrrolidine is CSC[C@@H]1CCNC1.
What is the InChIKey of (3R)-3-(methylsulfanylmethyl)pyrrolidine?
The InChIKey is DLRXQZPIZMUQQC-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H13NS/c1-8-5-6-2-3-7-4-6/h6-7H,2-5H2,1H3/t6-/m1/s1.
What are the key properties of (3R)-3-(methylsulfanylmethyl)pyrrolidine?
(3R)-3-(methylsulfanylmethyl)pyrrolidine has a molecular weight of 131.24 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(methylsulfanylmethyl)pyrrolidine is sourced from PubChem (CID 90143250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).