N-hydroxysulfanyl-2-methylpropan-2-amine

C4H11NOS — CID 89110483

IUPACN-hydroxysulfanyl-2-methylpropan-2-amine
SMILESCC(C)(C)NSO
InChIInChI=1S/C4H11NOS/c1-4(2,3)5-7-6/h5-6H,1-3H3
InChIKeyHJKIMAAFUMASGN-UHFFFAOYSA-N
MW121.20 g/mol
LogP1.50
Rot. Bonds1

About N-hydroxysulfanyl-2-methylpropan-2-amine

N-hydroxysulfanyl-2-methylpropan-2-amine (PubChem CID 89110483) has the molecular formula C4H11NOS and a molecular weight of 121.20 g/mol. Its IUPAC name is N-hydroxysulfanyl-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-hydroxysulfanyl-2-methylpropan-2-amine
PubChem CID89110483
Molecular FormulaC4H11NOS
Molecular Weight121.20 g/mol
Exact Mass121.06
IUPAC NameN-hydroxysulfanyl-2-methylpropan-2-amine
SMILESCC(C)(C)NSO
InChIInChI=1S/C4H11NOS/c1-4(2,3)5-7-6/h5-6H,1-3H3
InChIKeyHJKIMAAFUMASGN-UHFFFAOYSA-N
XLogP1.50
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.20
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-hydroxysulfanyl-2-methylpropan-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-hydroxysulfanyl-2-methylpropan-2-amine?
The IUPAC name of N-hydroxysulfanyl-2-methylpropan-2-amine (CID 89110483) is N-hydroxysulfanyl-2-methylpropan-2-amine.
What is the SMILES notation for N-hydroxysulfanyl-2-methylpropan-2-amine?
The canonical SMILES for N-hydroxysulfanyl-2-methylpropan-2-amine is CC(C)(C)NSO.
What is the InChIKey of N-hydroxysulfanyl-2-methylpropan-2-amine?
The InChIKey is HJKIMAAFUMASGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NOS/c1-4(2,3)5-7-6/h5-6H,1-3H3.
What are the key properties of N-hydroxysulfanyl-2-methylpropan-2-amine?
N-hydroxysulfanyl-2-methylpropan-2-amine has a molecular weight of 121.20 g/mol, XLogP of 1.50, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxysulfanyl-2-methylpropan-2-amine is sourced from PubChem (CID 89110483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).