[(2R)-1-methylpyrrolidin-2-yl]methanethiol

C6H13NS — CID 90948106

IUPAC[(2R)-1-methylpyrrolidin-2-yl]methanethiol
SMILESCN1CCC[C@@H]1CS
InChIInChI=1S/C6H13NS/c1-7-4-2-3-6(7)5-8/h6,8H,2-5H2,1H3/t6-/m1/s1
InChIKeyHCYWWPNQMQXVMT-ZCFIWIBFSA-N
MW131.24 g/mol
LogP1.01
Rot. Bonds1

About [(2R)-1-methylpyrrolidin-2-yl]methanethiol

[(2R)-1-methylpyrrolidin-2-yl]methanethiol (PubChem CID 90948106) has the molecular formula C6H13NS and a molecular weight of 131.24 g/mol. Its IUPAC name is [(2R)-1-methylpyrrolidin-2-yl]methanethiol.

Molecular Properties

Compound Name[(2R)-1-methylpyrrolidin-2-yl]methanethiol
PubChem CID90948106
Molecular FormulaC6H13NS
Molecular Weight131.24 g/mol
Exact Mass131.08
IUPAC Name[(2R)-1-methylpyrrolidin-2-yl]methanethiol
SMILESCN1CCC[C@@H]1CS
InChIInChI=1S/C6H13NS/c1-7-4-2-3-6(7)5-8/h6,8H,2-5H2,1H3/t6-/m1/s1
InChIKeyHCYWWPNQMQXVMT-ZCFIWIBFSA-N
XLogP1.01
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.24
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-ethyl-1-methylpyrrolidine;hydrofluoride
CID 162730747
(1-methylpyrrolidin-2-yl)methanol;yttrium
CID 164903793
(2S)-1-methyl-2-(pyrrolidin-1-ylmethyl)pyrrolidine
CID 10920923
(2R)-2-ethyl-1-methylpiperidine
CID 67552955
1-methyl-2-[(1-methylpiperidin-2-yl)methyl]piperidine
CID 54394556
2-(cyclobutylmethyl)-1-methylpyrrolidine
CID 162366300
[(2R)-1-methylpyrrolidin-2-yl]methyl methanesulfonate
CID 58483914
1-methyl-2-(nitrosomethyl)pyrrolidine
CID 142961038
[(2S)-1-methylpyrrolidin-2-yl]methyl hypoiodite
CID 149141238
1-methyl-2-(2-pyrrolidin-1-ylethyl)pyrrolidine
CID 59939510
cyclohexane;[(2S)-1-methylpyrrolidin-2-yl]methanol;molecular hydrogen
CID 143951282
4-(1-methylpiperidin-2-yl)butane-1-thiol;hydrobromide
CID 174870559

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-methylpyrrolidin-2-yl]methanethiol?
The IUPAC name of [(2R)-1-methylpyrrolidin-2-yl]methanethiol (CID 90948106) is [(2R)-1-methylpyrrolidin-2-yl]methanethiol.
What is the SMILES notation for [(2R)-1-methylpyrrolidin-2-yl]methanethiol?
The canonical SMILES for [(2R)-1-methylpyrrolidin-2-yl]methanethiol is CN1CCC[C@@H]1CS.
What is the InChIKey of [(2R)-1-methylpyrrolidin-2-yl]methanethiol?
The InChIKey is HCYWWPNQMQXVMT-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H13NS/c1-7-4-2-3-6(7)5-8/h6,8H,2-5H2,1H3/t6-/m1/s1.
What are the key properties of [(2R)-1-methylpyrrolidin-2-yl]methanethiol?
[(2R)-1-methylpyrrolidin-2-yl]methanethiol has a molecular weight of 131.24 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-methylpyrrolidin-2-yl]methanethiol is sourced from PubChem (CID 90948106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).