1-amino-2-methyl-1-sulfanylpropan-2-ol

C4H11NOS — CID 145463168

IUPAC1-amino-2-methyl-1-sulfanylpropan-2-ol
SMILESCC(C)(O)C(N)S
InChIInChI=1S/C4H11NOS/c1-4(2,6)3(5)7/h3,6-7H,5H2,1-2H3
InChIKeyLPAUVBPHWCTDAU-UHFFFAOYSA-N
MW121.20 g/mol
LogP-0.03
Rot. Bonds1

About 1-amino-2-methyl-1-sulfanylpropan-2-ol

1-amino-2-methyl-1-sulfanylpropan-2-ol (PubChem CID 145463168) has the molecular formula C4H11NOS and a molecular weight of 121.20 g/mol. Its IUPAC name is 1-amino-2-methyl-1-sulfanylpropan-2-ol.

Molecular Properties

Compound Name1-amino-2-methyl-1-sulfanylpropan-2-ol
PubChem CID145463168
Molecular FormulaC4H11NOS
Molecular Weight121.20 g/mol
Exact Mass121.06
IUPAC Name1-amino-2-methyl-1-sulfanylpropan-2-ol
SMILESCC(C)(O)C(N)S
InChIInChI=1S/C4H11NOS/c1-4(2,6)3(5)7/h3,6-7H,5H2,1-2H3
InChIKeyLPAUVBPHWCTDAU-UHFFFAOYSA-N
XLogP-0.03
TPSA46.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.20
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-Amino-2-methyl-3-(methylsulfanyl)propan-2-ol
CID 54594658
1-Amino-1,2-bis(sulfanyl)propan-2-ol
CID 141319546
2-Methyl-1-(methylsulfanylamino)propan-2-ol
CID 148062030
1-Amino-3-(ethylsulfanyl)-2-methylpropan-2-ol
CID 64814892
(2R)-1-amino-2-methyl-3-methylsulfanylpropan-2-ol
CID 95241000
(2S)-1-amino-2-methyl-3-methylsulfanylpropan-2-ol
CID 95241001

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-methyl-1-sulfanylpropan-2-ol?
The IUPAC name of 1-amino-2-methyl-1-sulfanylpropan-2-ol (CID 145463168) is 1-amino-2-methyl-1-sulfanylpropan-2-ol.
What is the SMILES notation for 1-amino-2-methyl-1-sulfanylpropan-2-ol?
The canonical SMILES for 1-amino-2-methyl-1-sulfanylpropan-2-ol is CC(C)(O)C(N)S.
What is the InChIKey of 1-amino-2-methyl-1-sulfanylpropan-2-ol?
The InChIKey is LPAUVBPHWCTDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NOS/c1-4(2,6)3(5)7/h3,6-7H,5H2,1-2H3.
What are the key properties of 1-amino-2-methyl-1-sulfanylpropan-2-ol?
1-amino-2-methyl-1-sulfanylpropan-2-ol has a molecular weight of 121.20 g/mol, XLogP of -0.03, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-methyl-1-sulfanylpropan-2-ol is sourced from PubChem (CID 145463168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).