3-amino-3-methyl-1-(2-sulfanylpropan-2-yloxy)butan-2-ol

C8H19NO2S — CID 155577421

IUPAC3-amino-3-methyl-1-(2-sulfanylpropan-2-yloxy)butan-2-ol
SMILESCC(C)(S)OCC(O)C(C)(C)N
InChIInChI=1S/C8H19NO2S/c1-7(2,9)6(10)5-11-8(3,4)12/h6,10,12H,5,9H2,1-4H3
InChIKeyJPAKGSUYPDLVJR-UHFFFAOYSA-N
MW193.31 g/mol
LogP0.77
Rot. Bonds4

About 3-amino-3-methyl-1-(2-sulfanylpropan-2-yloxy)butan-2-ol

3-amino-3-methyl-1-(2-sulfanylpropan-2-yloxy)butan-2-ol (PubChem CID 155577421) has the molecular formula C8H19NO2S and a molecular weight of 193.31 g/mol. Its IUPAC name is 3-amino-3-methyl-1-(2-sulfanylpropan-2-yloxy)butan-2-ol.

Molecular Properties

Compound Name3-amino-3-methyl-1-(2-sulfanylpropan-2-yloxy)butan-2-ol
PubChem CID155577421
Molecular FormulaC8H19NO2S
Molecular Weight193.31 g/mol
Exact Mass193.11
IUPAC Name3-amino-3-methyl-1-(2-sulfanylpropan-2-yloxy)butan-2-ol
SMILESCC(C)(S)OCC(O)C(C)(C)N
InChIInChI=1S/C8H19NO2S/c1-7(2,9)6(10)5-11-8(3,4)12/h6,10,12H,5,9H2,1-4H3
InChIKeyJPAKGSUYPDLVJR-UHFFFAOYSA-N
XLogP0.77
TPSA55.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-3-methyl-1-(2-sulfanylpropan-2-yloxy)butan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-3-methyl-1-phenylmethoxybutan-2-ol
CID 67509552
(3R)-4-amino-3-hydroxy-4-methylpentanamide
CID 809792
2-amino-2-methylhex-5-yn-3-ol
CID 130589365
3-amino-3-methylbutane-1,2-diol;2-methylprop-2-enamide
CID 87416618
4-amino-2-(3-amino-2,3-dimethylbutoxy)-3-methylbutane-2-thiol
CID 130217524
1-aminooxy-3,3-dimethylbutan-2-ol
CID 21111532
4-amino-1-ethylsulfanyl-4-methylpentan-3-ol
CID 116504442
1-amino-1-sulfanylethanol
CID 87381402
1-(2-hydroxy-3,3-dimethylbutyl)peroxy-3,3-dimethylbutan-2-ol
CID 57136034
(1R)-1-amino-2-methyl-2-sulfanylpropan-1-ol
CID 89174988
(3S)-3-amino-4-hydroperoxy-2-methylbutane-2-thiol
CID 88932011
[(2R)-2-hydroxy-3,3-dimethylbutyl] carbamate
CID 175027230

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-methyl-1-(2-sulfanylpropan-2-yloxy)butan-2-ol?
The IUPAC name of 3-amino-3-methyl-1-(2-sulfanylpropan-2-yloxy)butan-2-ol (CID 155577421) is 3-amino-3-methyl-1-(2-sulfanylpropan-2-yloxy)butan-2-ol.
What is the SMILES notation for 3-amino-3-methyl-1-(2-sulfanylpropan-2-yloxy)butan-2-ol?
The canonical SMILES for 3-amino-3-methyl-1-(2-sulfanylpropan-2-yloxy)butan-2-ol is CC(C)(S)OCC(O)C(C)(C)N.
What is the InChIKey of 3-amino-3-methyl-1-(2-sulfanylpropan-2-yloxy)butan-2-ol?
The InChIKey is JPAKGSUYPDLVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2S/c1-7(2,9)6(10)5-11-8(3,4)12/h6,10,12H,5,9H2,1-4H3.
What are the key properties of 3-amino-3-methyl-1-(2-sulfanylpropan-2-yloxy)butan-2-ol?
3-amino-3-methyl-1-(2-sulfanylpropan-2-yloxy)butan-2-ol has a molecular weight of 193.31 g/mol, XLogP of 0.77, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-methyl-1-(2-sulfanylpropan-2-yloxy)butan-2-ol is sourced from PubChem (CID 155577421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).