1-methylsulfanylpyrrolidine

C5H11NS — CID 15113339

IUPAC1-methylsulfanylpyrrolidine
SMILESCSN1CCCC1
InChIInChI=1S/C5H11NS/c1-7-6-4-2-3-5-6/h2-5H2,1H3
InChIKeyMEADWKCNRKPOEX-UHFFFAOYSA-N
MW117.22 g/mol
LogP1.36
Rot. Bonds1

About 1-methylsulfanylpyrrolidine

1-methylsulfanylpyrrolidine (PubChem CID 15113339) has the molecular formula C5H11NS and a molecular weight of 117.22 g/mol. Its IUPAC name is 1-methylsulfanylpyrrolidine.

Molecular Properties

Compound Name1-methylsulfanylpyrrolidine
PubChem CID15113339
Molecular FormulaC5H11NS
Molecular Weight117.22 g/mol
Exact Mass117.06
IUPAC Name1-methylsulfanylpyrrolidine
SMILESCSN1CCCC1
InChIInChI=1S/C5H11NS/c1-7-6-4-2-3-5-6/h2-5H2,1H3
InChIKeyMEADWKCNRKPOEX-UHFFFAOYSA-N
XLogP1.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.22
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Thioazolidine
CID 19981904
3,3-Difluoro-1-methylsulfanylpyrrolidine
CID 123776215
(3S)-3-fluoro-1-methylsulfanylpyrrolidine
CID 129168078
(3R)-3-fluoro-1-methylsulfanylpyrrolidine
CID 139353980
3-Fluoro-1-methylsulfanylpyrrolidine
CID 155316052
Pyrrolidin-1-yl thiohypochlorite
CID 13147689
2-Methyl-1,2-thiazolidine
CID 13493124
2-Ethyl-1,2-thiazolidine
CID 13493125
Pyrrolidin-1-yl methanedithioate
CID 15817806
1-Sulfanylpyrrolidine;hydrochloride
CID 19981903
1-(Disulfanyl)pyrrolidine
CID 20325767
S-(pyrrolidin-1-ylmethyl)thiohydroxylamine
CID 23354513

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfanylpyrrolidine?
The IUPAC name of 1-methylsulfanylpyrrolidine (CID 15113339) is 1-methylsulfanylpyrrolidine.
What is the SMILES notation for 1-methylsulfanylpyrrolidine?
The canonical SMILES for 1-methylsulfanylpyrrolidine is CSN1CCCC1.
What is the InChIKey of 1-methylsulfanylpyrrolidine?
The InChIKey is MEADWKCNRKPOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NS/c1-7-6-4-2-3-5-6/h2-5H2,1H3.
What are the key properties of 1-methylsulfanylpyrrolidine?
1-methylsulfanylpyrrolidine has a molecular weight of 117.22 g/mol, XLogP of 1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanylpyrrolidine is sourced from PubChem (CID 15113339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).