(1R)-1-amino-2-methyl-2-sulfanylpropan-1-ol

C4H11NOS — CID 89174988

IUPAC(1R)-1-amino-2-methyl-2-sulfanylpropan-1-ol
SMILESCC(C)(S)[C@H](N)O
InChIInChI=1S/C4H11NOS/c1-4(2,7)3(5)6/h3,6-7H,5H2,1-2H3/t3-/m1/s1
InChIKeyDQIKVBFFXDITGS-GSVOUGTGSA-N
MW121.20 g/mol
LogP-0.03
Rot. Bonds1

About (1R)-1-amino-2-methyl-2-sulfanylpropan-1-ol

(1R)-1-amino-2-methyl-2-sulfanylpropan-1-ol (PubChem CID 89174988) has the molecular formula C4H11NOS and a molecular weight of 121.20 g/mol. Its IUPAC name is (1R)-1-amino-2-methyl-2-sulfanylpropan-1-ol.

Molecular Properties

Compound Name(1R)-1-amino-2-methyl-2-sulfanylpropan-1-ol
PubChem CID89174988
Molecular FormulaC4H11NOS
Molecular Weight121.20 g/mol
Exact Mass121.06
IUPAC Name(1R)-1-amino-2-methyl-2-sulfanylpropan-1-ol
SMILESCC(C)(S)[C@H](N)O
InChIInChI=1S/C4H11NOS/c1-4(2,7)3(5)6/h3,6-7H,5H2,1-2H3/t3-/m1/s1
InChIKeyDQIKVBFFXDITGS-GSVOUGTGSA-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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Frequently Asked Questions

What is the IUPAC name of (1R)-1-amino-2-methyl-2-sulfanylpropan-1-ol?
The IUPAC name of (1R)-1-amino-2-methyl-2-sulfanylpropan-1-ol (CID 89174988) is (1R)-1-amino-2-methyl-2-sulfanylpropan-1-ol.
What is the SMILES notation for (1R)-1-amino-2-methyl-2-sulfanylpropan-1-ol?
The canonical SMILES for (1R)-1-amino-2-methyl-2-sulfanylpropan-1-ol is CC(C)(S)[C@H](N)O.
What is the InChIKey of (1R)-1-amino-2-methyl-2-sulfanylpropan-1-ol?
The InChIKey is DQIKVBFFXDITGS-GSVOUGTGSA-N. The full InChI is InChI=1S/C4H11NOS/c1-4(2,7)3(5)6/h3,6-7H,5H2,1-2H3/t3-/m1/s1.
What are the key properties of (1R)-1-amino-2-methyl-2-sulfanylpropan-1-ol?
(1R)-1-amino-2-methyl-2-sulfanylpropan-1-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 (1R)-1-amino-2-methyl-2-sulfanylpropan-1-ol is sourced from PubChem (CID 89174988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).