(1-methylpyrrolidin-2-yl)methanethiol

C6H13NS — CID 21277983

IUPAC(1-methylpyrrolidin-2-yl)methanethiol
SMILESCN1CCCC1CS
InChIInChI=1S/C6H13NS/c1-7-4-2-3-6(7)5-8/h6,8H,2-5H2,1H3
InChIKeyHCYWWPNQMQXVMT-UHFFFAOYSA-N
MW131.24 g/mol
LogP1.01
Rot. Bonds1

About (1-methylpyrrolidin-2-yl)methanethiol

(1-methylpyrrolidin-2-yl)methanethiol (PubChem CID 21277983) has the molecular formula C6H13NS and a molecular weight of 131.24 g/mol. Its IUPAC name is (1-methylpyrrolidin-2-yl)methanethiol.

Molecular Properties

Compound Name(1-methylpyrrolidin-2-yl)methanethiol
PubChem CID21277983
Molecular FormulaC6H13NS
Molecular Weight131.24 g/mol
Exact Mass131.08
IUPAC Name(1-methylpyrrolidin-2-yl)methanethiol
SMILESCN1CCCC1CS
InChIInChI=1S/C6H13NS/c1-7-4-2-3-6(7)5-8/h6,8H,2-5H2,1H3
InChIKeyHCYWWPNQMQXVMT-UHFFFAOYSA-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

CID 23379003
CID 23379003
CID 45088079
CID 45088079
CID 138601914
CID 138601914
CID 156141546
CID 156141546
CID 164922305
CID 164922305
CID 166533870
CID 166533870
CID 170079552
CID 170079552
CID 173735358
CID 173735358
CID 173844913
CID 173844913
CID 10866373
CID 10866373
CID 12900656
CID 12900656
CID 13726421
CID 13726421

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrrolidin-2-yl)methanethiol?
The IUPAC name of (1-methylpyrrolidin-2-yl)methanethiol (CID 21277983) is (1-methylpyrrolidin-2-yl)methanethiol.
What is the SMILES notation for (1-methylpyrrolidin-2-yl)methanethiol?
The canonical SMILES for (1-methylpyrrolidin-2-yl)methanethiol is CN1CCCC1CS.
What is the InChIKey of (1-methylpyrrolidin-2-yl)methanethiol?
The InChIKey is HCYWWPNQMQXVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NS/c1-7-4-2-3-6(7)5-8/h6,8H,2-5H2,1H3.
What are the key properties of (1-methylpyrrolidin-2-yl)methanethiol?
(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 (1-methylpyrrolidin-2-yl)methanethiol is sourced from PubChem (CID 21277983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).