(2R)-2-(methylamino)propane-1-thiol

C4H11NS — CID 71627407

IUPAC(2R)-2-(methylamino)propane-1-thiol
SMILESCN[C@H](C)CS
InChIInChI=1S/C4H11NS/c1-4(3-6)5-2/h4-6H,3H2,1-2H3/t4-/m1/s1
InChIKeyRKQNVYALSSUOPJ-SCSAIBSYSA-N
MW105.21 g/mol
LogP0.52
Rot. Bonds2

About (2R)-2-(methylamino)propane-1-thiol

(2R)-2-(methylamino)propane-1-thiol (PubChem CID 71627407) has the molecular formula C4H11NS and a molecular weight of 105.21 g/mol. Its IUPAC name is (2R)-2-(methylamino)propane-1-thiol.

Molecular Properties

Compound Name(2R)-2-(methylamino)propane-1-thiol
PubChem CID71627407
Molecular FormulaC4H11NS
Molecular Weight105.21 g/mol
Exact Mass105.06
IUPAC Name(2R)-2-(methylamino)propane-1-thiol
SMILESCN[C@H](C)CS
InChIInChI=1S/C4H11NS/c1-4(3-6)5-2/h4-6H,3H2,1-2H3/t4-/m1/s1
InChIKeyRKQNVYALSSUOPJ-SCSAIBSYSA-N
XLogP0.52
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.21
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(methylamino)propane-1-thiol?
The IUPAC name of (2R)-2-(methylamino)propane-1-thiol (CID 71627407) is (2R)-2-(methylamino)propane-1-thiol.
What is the SMILES notation for (2R)-2-(methylamino)propane-1-thiol?
The canonical SMILES for (2R)-2-(methylamino)propane-1-thiol is CN[C@H](C)CS.
What is the InChIKey of (2R)-2-(methylamino)propane-1-thiol?
The InChIKey is RKQNVYALSSUOPJ-SCSAIBSYSA-N. The full InChI is InChI=1S/C4H11NS/c1-4(3-6)5-2/h4-6H,3H2,1-2H3/t4-/m1/s1.
What are the key properties of (2R)-2-(methylamino)propane-1-thiol?
(2R)-2-(methylamino)propane-1-thiol has a molecular weight of 105.21 g/mol, XLogP of 0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(methylamino)propane-1-thiol is sourced from PubChem (CID 71627407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).