2-methyl-3-(trihydroxy-λ4-sulfanyl)propan-1-amine

C4H13NO3S — CID 142899686

IUPAC2-methyl-3-(trihydroxy-λ4-sulfanyl)propan-1-amine
SMILESCC(CN)CS(O)(O)O
InChIInChI=1S/C4H13NO3S/c1-4(2-5)3-9(6,7)8/h4,6-8H,2-3,5H2,1H3
InChIKeyJZEWIHSLRLWRGK-UHFFFAOYSA-N
MW155.22 g/mol
LogP0.80
Rot. Bonds3

About 2-methyl-3-(trihydroxy-λ4-sulfanyl)propan-1-amine

2-methyl-3-(trihydroxy-λ4-sulfanyl)propan-1-amine (PubChem CID 142899686) has the molecular formula C4H13NO3S and a molecular weight of 155.22 g/mol. Its IUPAC name is 2-methyl-3-(trihydroxy-λ4-sulfanyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-3-(trihydroxy-λ4-sulfanyl)propan-1-amine
PubChem CID142899686
Molecular FormulaC4H13NO3S
Molecular Weight155.22 g/mol
Exact Mass155.06
IUPAC Name2-methyl-3-(trihydroxy-λ4-sulfanyl)propan-1-amine
SMILESCC(CN)CS(O)(O)O
InChIInChI=1S/C4H13NO3S/c1-4(2-5)3-9(6,7)8/h4,6-8H,2-3,5H2,1H3
InChIKeyJZEWIHSLRLWRGK-UHFFFAOYSA-N
XLogP0.80
TPSA86.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 50.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-Amino-2-methylpropane-1-sulfonic acid
CID 315323
1-Propanesulfonic acid, 3-amino-2-methyl-
CID 11976925
1-Amino-2-methylpropane-1-sulfinic acid
CID 22024843
N-[hydroxy-(2-methylpropylidene)-oxo-lambda6-sulfanyl]ethanamine
CID 56995752
4-Amino-3-methylbutane-1-sulfinic acid
CID 129313207
N-[ethyl(dihydroxy)-lambda4-sulfanyl]ethanamine
CID 142211074
Ethane;2-(trihydroxy-lambda4-sulfanyl)ethanamine
CID 142218623
3-(Trihydroxy-lambda4-sulfanyl)propan-1-amine
CID 143992139
(2S)-3-amino-2-methylpropane-1-sulfonic acid
CID 146301923
N-[dihydroxy(propan-2-yl)-lambda4-sulfanyl]-2-methylpropan-1-amine
CID 153397617
2-Methylpropane-1-sulfonic acid;propan-1-amine
CID 160863462
N-[ethenyl(dihydroxy)-lambda4-sulfanyl]-2-methylpropan-1-amine
CID 163492767

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(trihydroxy-λ4-sulfanyl)propan-1-amine?
The IUPAC name of 2-methyl-3-(trihydroxy-λ4-sulfanyl)propan-1-amine (CID 142899686) is 2-methyl-3-(trihydroxy-λ4-sulfanyl)propan-1-amine.
What is the SMILES notation for 2-methyl-3-(trihydroxy-λ4-sulfanyl)propan-1-amine?
The canonical SMILES for 2-methyl-3-(trihydroxy-λ4-sulfanyl)propan-1-amine is CC(CN)CS(O)(O)O.
What is the InChIKey of 2-methyl-3-(trihydroxy-λ4-sulfanyl)propan-1-amine?
The InChIKey is JZEWIHSLRLWRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H13NO3S/c1-4(2-5)3-9(6,7)8/h4,6-8H,2-3,5H2,1H3.
What are the key properties of 2-methyl-3-(trihydroxy-λ4-sulfanyl)propan-1-amine?
2-methyl-3-(trihydroxy-λ4-sulfanyl)propan-1-amine has a molecular weight of 155.22 g/mol, XLogP of 0.80, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(trihydroxy-λ4-sulfanyl)propan-1-amine is sourced from PubChem (CID 142899686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).