N-[dihydroxy(methyl)-λ4-sulfanyl]-2-methylpropan-1-amine

C5H15NO2S — CID 166120513

IUPACN-[dihydroxy(methyl)-λ4-sulfanyl]-2-methylpropan-1-amine
SMILESCC(C)CNS(C)(O)O
InChIInChI=1S/C5H15NO2S/c1-5(2)4-6-9(3,7)8/h5-8H,4H2,1-3H3
InChIKeyXNZRXWCJWXZPCV-UHFFFAOYSA-N
MW153.25 g/mol
LogP1.53
Rot. Bonds3

About N-[dihydroxy(methyl)-λ4-sulfanyl]-2-methylpropan-1-amine

N-[dihydroxy(methyl)-λ4-sulfanyl]-2-methylpropan-1-amine (PubChem CID 166120513) has the molecular formula C5H15NO2S and a molecular weight of 153.25 g/mol. Its IUPAC name is N-[dihydroxy(methyl)-λ4-sulfanyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[dihydroxy(methyl)-λ4-sulfanyl]-2-methylpropan-1-amine
PubChem CID166120513
Molecular FormulaC5H15NO2S
Molecular Weight153.25 g/mol
Exact Mass153.08
IUPAC NameN-[dihydroxy(methyl)-λ4-sulfanyl]-2-methylpropan-1-amine
SMILESCC(C)CNS(C)(O)O
InChIInChI=1S/C5H15NO2S/c1-5(2)4-6-9(3,7)8/h5-8H,4H2,1-3H3
InChIKeyXNZRXWCJWXZPCV-UHFFFAOYSA-N
XLogP1.53
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.25
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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2-Methyl-1-[tritio(tritiooxysulfinyl)amino]propane
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N-(2-methylpropyl)-N-tritiomethanesulfinamide
CID 58826094
N-(hydroxy-methylidene-oxo-lambda6-sulfanyl)-2-methylpropan-1-amine
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N-[dihydroxy(methyl)-lambda4-sulfanyl]propan-2-amine
CID 123548608
N-[dihydroxy(methyl)-lambda4-sulfanyl]ethanamine
CID 123866040
N-[dihydroxy(methyl)-lambda4-sulfanyl]ethanamine;ethane
CID 142156755
2-Methyl-3-(trihydroxy-lambda4-sulfanyl)propan-1-amine
CID 142899686
N-[dihydroxy(methyl)-lambda4-sulfanyl]butan-1-amine;ethane;molecular hydrogen
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N-[dihydroxy(methyl)-lambda4-sulfanyl]butan-1-amine
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Frequently Asked Questions

What is the IUPAC name of N-[dihydroxy(methyl)-λ4-sulfanyl]-2-methylpropan-1-amine?
The IUPAC name of N-[dihydroxy(methyl)-λ4-sulfanyl]-2-methylpropan-1-amine (CID 166120513) is N-[dihydroxy(methyl)-λ4-sulfanyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[dihydroxy(methyl)-λ4-sulfanyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[dihydroxy(methyl)-λ4-sulfanyl]-2-methylpropan-1-amine is CC(C)CNS(C)(O)O.
What is the InChIKey of N-[dihydroxy(methyl)-λ4-sulfanyl]-2-methylpropan-1-amine?
The InChIKey is XNZRXWCJWXZPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H15NO2S/c1-5(2)4-6-9(3,7)8/h5-8H,4H2,1-3H3.
What are the key properties of N-[dihydroxy(methyl)-λ4-sulfanyl]-2-methylpropan-1-amine?
N-[dihydroxy(methyl)-λ4-sulfanyl]-2-methylpropan-1-amine has a molecular weight of 153.25 g/mol, XLogP of 1.53, 3 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]-2-methylpropan-1-amine is sourced from PubChem (CID 166120513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).