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

C7H21NO2S — CID 166557752

IUPACN-[dihydroxy(methyl)-λ4-sulfanyl]-2-methylpropan-1-amine;ethane
SMILESCC.CC(C)CNS(C)(O)O
InChIInChI=1S/C5H15NO2S.C2H6/c1-5(2)4-6-9(3,7)8;1-2/h5-8H,4H2,1-3H3;1-2H3
InChIKeySUMLBKYLJWOEFL-UHFFFAOYSA-N
MW183.32 g/mol
LogP2.55
Rot. Bonds3

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

N-[dihydroxy(methyl)-λ4-sulfanyl]-2-methylpropan-1-amine;ethane (PubChem CID 166557752) has the molecular formula C7H21NO2S and a molecular weight of 183.32 g/mol. Its IUPAC name is N-[dihydroxy(methyl)-λ4-sulfanyl]-2-methylpropan-1-amine;ethane.

Molecular Properties

Compound NameN-[dihydroxy(methyl)-λ4-sulfanyl]-2-methylpropan-1-amine;ethane
PubChem CID166557752
Molecular FormulaC7H21NO2S
Molecular Weight183.32 g/mol
Exact Mass183.13
IUPAC NameN-[dihydroxy(methyl)-λ4-sulfanyl]-2-methylpropan-1-amine;ethane
SMILESCC.CC(C)CNS(C)(O)O
InChIInChI=1S/C5H15NO2S.C2H6/c1-5(2)4-6-9(3,7)8;1-2/h5-8H,4H2,1-3H3;1-2H3
InChIKeySUMLBKYLJWOEFL-UHFFFAOYSA-N
XLogP2.55
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[dihydroxy(methyl)-λ4-sulfanyl]-2-methylpropan-1-amine;ethane 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-(hydroxy-methylidene-oxo-lambda6-sulfanyl)-2-methylpropan-1-amine
CID 90962851
N-[dihydroxy(methyl)-lambda4-sulfanyl]ethanamine;ethane
CID 142156755
ethane;N-[hydroxy(dimethyl)-lambda4-sulfanyl]propan-1-amine
CID 142291440
2-Methyl-3-(trihydroxy-lambda4-sulfanyl)propan-1-amine
CID 142899686
N-[dihydroxy(methyl)-lambda4-sulfanyl]butan-1-amine;ethane;molecular hydrogen
CID 144267996
N-[dihydroxy(methyl)-lambda4-sulfanyl]butan-1-amine
CID 144267997
N-[dihydroxy(methyl)-lambda4-sulfanyl]propan-1-amine;ethane;molecular hydrogen
CID 144268144
N-[dihydroxy(methyl)-lambda4-sulfanyl]propan-1-amine
CID 144268145
N-[dihydroxy(methyl)-lambda4-sulfanyl]propan-1-amine;molecular hydrogen
CID 144268216
N-[dihydroxy(methyl)-lambda4-sulfanyl]-4-methylpentan-1-amine
CID 144305770
N-[dihydroxy(methyl)-lambda4-sulfanyl]-3-methylbutan-1-amine
CID 153329727
N-[dihydroxy(methyl)-lambda4-sulfanyl]-3-methylbutan-2-amine
CID 153397461

Frequently Asked Questions

What is the IUPAC name of N-[dihydroxy(methyl)-λ4-sulfanyl]-2-methylpropan-1-amine;ethane?
The IUPAC name of N-[dihydroxy(methyl)-λ4-sulfanyl]-2-methylpropan-1-amine;ethane (CID 166557752) is N-[dihydroxy(methyl)-λ4-sulfanyl]-2-methylpropan-1-amine;ethane.
What is the SMILES notation for N-[dihydroxy(methyl)-λ4-sulfanyl]-2-methylpropan-1-amine;ethane?
The canonical SMILES for N-[dihydroxy(methyl)-λ4-sulfanyl]-2-methylpropan-1-amine;ethane is CC.CC(C)CNS(C)(O)O.
What is the InChIKey of N-[dihydroxy(methyl)-λ4-sulfanyl]-2-methylpropan-1-amine;ethane?
The InChIKey is SUMLBKYLJWOEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H15NO2S.C2H6/c1-5(2)4-6-9(3,7)8;1-2/h5-8H,4H2,1-3H3;1-2H3.
What are the key properties of N-[dihydroxy(methyl)-λ4-sulfanyl]-2-methylpropan-1-amine;ethane?
N-[dihydroxy(methyl)-λ4-sulfanyl]-2-methylpropan-1-amine;ethane has a molecular weight of 183.32 g/mol, XLogP of 2.55, 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;ethane is sourced from PubChem (CID 166557752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).