(2R)-3-amino-2-methylpropane-1-thiol

C4H11NS — CID 92974818

IUPAC(2R)-3-amino-2-methylpropane-1-thiol
SMILESC[C@H](CN)CS
InChIInChI=1S/C4H11NS/c1-4(2-5)3-6/h4,6H,2-3,5H2,1H3/t4-/m1/s1
InChIKeyZNJIPRNZAZBOBQ-SCSAIBSYSA-N
MW105.21 g/mol
LogP0.51
Rot. Bonds2

About (2R)-3-amino-2-methylpropane-1-thiol

(2R)-3-amino-2-methylpropane-1-thiol (PubChem CID 92974818) has the molecular formula C4H11NS and a molecular weight of 105.21 g/mol. Its IUPAC name is (2R)-3-amino-2-methylpropane-1-thiol.

Molecular Properties

Compound Name(2R)-3-amino-2-methylpropane-1-thiol
PubChem CID92974818
Molecular FormulaC4H11NS
Molecular Weight105.21 g/mol
Exact Mass105.06
IUPAC Name(2R)-3-amino-2-methylpropane-1-thiol
SMILESC[C@H](CN)CS
InChIInChI=1S/C4H11NS/c1-4(2-5)3-6/h4,6H,2-3,5H2,1H3/t4-/m1/s1
InChIKeyZNJIPRNZAZBOBQ-SCSAIBSYSA-N
XLogP0.51
TPSA26.02 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 ≤ 50.51
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)-3-amino-2-methylpropane-1-thiol?
The IUPAC name of (2R)-3-amino-2-methylpropane-1-thiol (CID 92974818) is (2R)-3-amino-2-methylpropane-1-thiol.
What is the SMILES notation for (2R)-3-amino-2-methylpropane-1-thiol?
The canonical SMILES for (2R)-3-amino-2-methylpropane-1-thiol is C[C@H](CN)CS.
What is the InChIKey of (2R)-3-amino-2-methylpropane-1-thiol?
The InChIKey is ZNJIPRNZAZBOBQ-SCSAIBSYSA-N. The full InChI is InChI=1S/C4H11NS/c1-4(2-5)3-6/h4,6H,2-3,5H2,1H3/t4-/m1/s1.
What are the key properties of (2R)-3-amino-2-methylpropane-1-thiol?
(2R)-3-amino-2-methylpropane-1-thiol has a molecular weight of 105.21 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-amino-2-methylpropane-1-thiol is sourced from PubChem (CID 92974818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).