N-[dihydroxy(methyl)-λ4-sulfanyl]propan-2-amine

C4H13NO2S — CID 123548608

IUPACN-[dihydroxy(methyl)-λ4-sulfanyl]propan-2-amine
SMILESCC(C)NS(C)(O)O
InChIInChI=1S/C4H13NO2S/c1-4(2)5-8(3,6)7/h4-7H,1-3H3
InChIKeyRBZFLRYBNQKSCA-UHFFFAOYSA-N
MW139.22 g/mol
LogP1.28
Rot. Bonds2

About N-[dihydroxy(methyl)-λ4-sulfanyl]propan-2-amine

N-[dihydroxy(methyl)-λ4-sulfanyl]propan-2-amine (PubChem CID 123548608) has the molecular formula C4H13NO2S and a molecular weight of 139.22 g/mol. Its IUPAC name is N-[dihydroxy(methyl)-λ4-sulfanyl]propan-2-amine.

Molecular Properties

Compound NameN-[dihydroxy(methyl)-λ4-sulfanyl]propan-2-amine
PubChem CID123548608
Molecular FormulaC4H13NO2S
Molecular Weight139.22 g/mol
Exact Mass139.07
IUPAC NameN-[dihydroxy(methyl)-λ4-sulfanyl]propan-2-amine
SMILESCC(C)NS(C)(O)O
InChIInChI=1S/C4H13NO2S/c1-4(2)5-8(3,6)7/h4-7H,1-3H3
InChIKeyRBZFLRYBNQKSCA-UHFFFAOYSA-N
XLogP1.28
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.22
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[dihydroxy(methyl)-λ4-sulfanyl]propan-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

Related Compounds

N-[difluoromethyl(dihydroxy)-lambda4-sulfanyl]propan-2-amine
CID 177996867
N-[fluoromethyl(dihydroxy)-lambda4-sulfanyl]propan-2-amine
CID 177996881
N-[[fluoro(phosphanyl)methyl]-dihydroxy-lambda4-sulfanyl]propan-2-amine
CID 177997786
N-propan-2-ylmethanesulfinamide
CID 14896695
N-(trihydroxy-lambda4-sulfanyl)propan-2-amine
CID 23575564
Methanesulfonic acid;propan-2-amine
CID 86066567
N-(hydroxy-methylidene-oxo-lambda6-sulfanyl)propan-2-amine
CID 90923190
N-(hydroxy-dimethyl-oxo-lambda6-sulfanyl)pentan-3-amine
CID 123275885
N-[dihydroxy(methyl)-lambda4-sulfanyl]ethanamine
CID 123866040
N-[dihydroxy(methyl)-lambda4-sulfanyl]ethanamine;ethane
CID 142156755
4-[Amino(dihydroxy)-lambda4-sulfanyl]butan-2-amine
CID 142529596
N-[dihydroxy(methyl)-lambda4-sulfanyl]butan-1-amine;ethane;molecular hydrogen
CID 144267996

Frequently Asked Questions

What is the IUPAC name of N-[dihydroxy(methyl)-λ4-sulfanyl]propan-2-amine?
The IUPAC name of N-[dihydroxy(methyl)-λ4-sulfanyl]propan-2-amine (CID 123548608) is N-[dihydroxy(methyl)-λ4-sulfanyl]propan-2-amine.
What is the SMILES notation for N-[dihydroxy(methyl)-λ4-sulfanyl]propan-2-amine?
The canonical SMILES for N-[dihydroxy(methyl)-λ4-sulfanyl]propan-2-amine is CC(C)NS(C)(O)O.
What is the InChIKey of N-[dihydroxy(methyl)-λ4-sulfanyl]propan-2-amine?
The InChIKey is RBZFLRYBNQKSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H13NO2S/c1-4(2)5-8(3,6)7/h4-7H,1-3H3.
What are the key properties of N-[dihydroxy(methyl)-λ4-sulfanyl]propan-2-amine?
N-[dihydroxy(methyl)-λ4-sulfanyl]propan-2-amine has a molecular weight of 139.22 g/mol, XLogP of 1.28, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[dihydroxy(methyl)-λ4-sulfanyl]propan-2-amine is sourced from PubChem (CID 123548608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).