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

C6H19NO2S — CID 162721887

IUPACN-[dihydroxy(methyl)-λ4-sulfanyl]propan-1-amine;ethane
SMILESCC.CCCNS(C)(O)O
InChIInChI=1S/C4H13NO2S.C2H6/c1-3-4-5-8(2,6)7;1-2/h5-7H,3-4H2,1-2H3;1-2H3
InChIKeyCYEVWAADZWJALZ-UHFFFAOYSA-N
MW169.29 g/mol
LogP2.31
Rot. Bonds3

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

N-[dihydroxy(methyl)-λ4-sulfanyl]propan-1-amine;ethane (PubChem CID 162721887) has the molecular formula C6H19NO2S and a molecular weight of 169.29 g/mol. Its IUPAC name is N-[dihydroxy(methyl)-λ4-sulfanyl]propan-1-amine;ethane.

Molecular Properties

Compound NameN-[dihydroxy(methyl)-λ4-sulfanyl]propan-1-amine;ethane
PubChem CID162721887
Molecular FormulaC6H19NO2S
Molecular Weight169.29 g/mol
Exact Mass169.11
IUPAC NameN-[dihydroxy(methyl)-λ4-sulfanyl]propan-1-amine;ethane
SMILESCC.CCCNS(C)(O)O
InChIInChI=1S/C4H13NO2S.C2H6/c1-3-4-5-8(2,6)7;1-2/h5-7H,3-4H2,1-2H3;1-2H3
InChIKeyCYEVWAADZWJALZ-UHFFFAOYSA-N
XLogP2.31
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[dihydroxy(methyl)-λ4-sulfanyl]propan-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)propan-1-amine
CID 56612290
N-[dihydroxy(methyl)-lambda4-sulfanyl]propan-2-amine
CID 123548608
N-[dihydroxy(methyl)-lambda4-sulfanyl]ethanamine
CID 123866040
ethane;N-[hydroxy(dimethyl)-lambda4-sulfanyl]propan-1-amine
CID 141880884
N-[dihydroxy(methyl)-lambda4-sulfanyl]ethanamine;ethane
CID 142156755
N-[ethyl(dihydroxy)-lambda4-sulfanyl]ethanamine
CID 142211074
ethane;N-[hydroxy(dimethyl)-lambda4-sulfanyl]propan-1-amine
CID 142291440
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

Frequently Asked Questions

What is the IUPAC name of N-[dihydroxy(methyl)-λ4-sulfanyl]propan-1-amine;ethane?
The IUPAC name of N-[dihydroxy(methyl)-λ4-sulfanyl]propan-1-amine;ethane (CID 162721887) is N-[dihydroxy(methyl)-λ4-sulfanyl]propan-1-amine;ethane.
What is the SMILES notation for N-[dihydroxy(methyl)-λ4-sulfanyl]propan-1-amine;ethane?
The canonical SMILES for N-[dihydroxy(methyl)-λ4-sulfanyl]propan-1-amine;ethane is CC.CCCNS(C)(O)O.
What is the InChIKey of N-[dihydroxy(methyl)-λ4-sulfanyl]propan-1-amine;ethane?
The InChIKey is CYEVWAADZWJALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H13NO2S.C2H6/c1-3-4-5-8(2,6)7;1-2/h5-7H,3-4H2,1-2H3;1-2H3.
What are the key properties of N-[dihydroxy(methyl)-λ4-sulfanyl]propan-1-amine;ethane?
N-[dihydroxy(methyl)-λ4-sulfanyl]propan-1-amine;ethane has a molecular weight of 169.29 g/mol, XLogP of 2.31, 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]propan-1-amine;ethane is sourced from PubChem (CID 162721887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).