N-[chloro(dihydroxy)-λ4-sulfanyl]-2-methylpropan-2-amine

C4H12ClNO2S — CID 165122433

IUPACN-[chloro(dihydroxy)-λ4-sulfanyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NS(O)(O)Cl
InChIInChI=1S/C4H12ClNO2S/c1-4(2,3)6-9(5,7)8/h6-8H,1-3H3
InChIKeyNHMSAJAUPWRYGV-UHFFFAOYSA-N
MW173.66 g/mol
LogP2.19
Rot. Bonds1

About N-[chloro(dihydroxy)-λ4-sulfanyl]-2-methylpropan-2-amine

N-[chloro(dihydroxy)-λ4-sulfanyl]-2-methylpropan-2-amine (PubChem CID 165122433) has the molecular formula C4H12ClNO2S and a molecular weight of 173.66 g/mol. Its IUPAC name is N-[chloro(dihydroxy)-λ4-sulfanyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[chloro(dihydroxy)-λ4-sulfanyl]-2-methylpropan-2-amine
PubChem CID165122433
Molecular FormulaC4H12ClNO2S
Molecular Weight173.66 g/mol
Exact Mass173.03
IUPAC NameN-[chloro(dihydroxy)-λ4-sulfanyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NS(O)(O)Cl
InChIInChI=1S/C4H12ClNO2S/c1-4(2,3)6-9(5,7)8/h6-8H,1-3H3
InChIKeyNHMSAJAUPWRYGV-UHFFFAOYSA-N
XLogP2.19
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.66
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[chloro(dihydroxy)-λ4-sulfanyl]-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-[chloro(dihydroxy)-λ4-sulfanyl]-2-methylpropan-2-amine?
The IUPAC name of N-[chloro(dihydroxy)-λ4-sulfanyl]-2-methylpropan-2-amine (CID 165122433) is N-[chloro(dihydroxy)-λ4-sulfanyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[chloro(dihydroxy)-λ4-sulfanyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[chloro(dihydroxy)-λ4-sulfanyl]-2-methylpropan-2-amine is CC(C)(C)NS(O)(O)Cl.
What is the InChIKey of N-[chloro(dihydroxy)-λ4-sulfanyl]-2-methylpropan-2-amine?
The InChIKey is NHMSAJAUPWRYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12ClNO2S/c1-4(2,3)6-9(5,7)8/h6-8H,1-3H3.
What are the key properties of N-[chloro(dihydroxy)-λ4-sulfanyl]-2-methylpropan-2-amine?
N-[chloro(dihydroxy)-λ4-sulfanyl]-2-methylpropan-2-amine has a molecular weight of 173.66 g/mol, XLogP of 2.19, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[chloro(dihydroxy)-λ4-sulfanyl]-2-methylpropan-2-amine is sourced from PubChem (CID 165122433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).