N-[dihydroxy(methyl)-λ4-sulfanyl]ethanamine;ethane

C5H17NO2S — CID 142156755

IUPACN-[dihydroxy(methyl)-λ4-sulfanyl]ethanamine;ethane
SMILESCC.CCNS(C)(O)O
InChIInChI=1S/C3H11NO2S.C2H6/c1-3-4-7(2,5)6;1-2/h4-6H,3H2,1-2H3;1-2H3
InChIKeyGZCXPPWESWEXGC-UHFFFAOYSA-N
MW155.26 g/mol
LogP1.92
Rot. Bonds2

About N-[dihydroxy(methyl)-λ4-sulfanyl]ethanamine;ethane

N-[dihydroxy(methyl)-λ4-sulfanyl]ethanamine;ethane (PubChem CID 142156755) has the molecular formula C5H17NO2S and a molecular weight of 155.26 g/mol. Its IUPAC name is N-[dihydroxy(methyl)-λ4-sulfanyl]ethanamine;ethane.

Molecular Properties

Compound NameN-[dihydroxy(methyl)-λ4-sulfanyl]ethanamine;ethane
PubChem CID142156755
Molecular FormulaC5H17NO2S
Molecular Weight155.26 g/mol
Exact Mass155.10
IUPAC NameN-[dihydroxy(methyl)-λ4-sulfanyl]ethanamine;ethane
SMILESCC.CCNS(C)(O)O
InChIInChI=1S/C3H11NO2S.C2H6/c1-3-4-7(2,5)6;1-2/h4-6H,3H2,1-2H3;1-2H3
InChIKeyGZCXPPWESWEXGC-UHFFFAOYSA-N
XLogP1.92
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.26
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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-[ethyl(dihydroxy)-lambda4-sulfanyl]ethanamine
CID 142211074
Ethane;2-(trihydroxy-lambda4-sulfanyl)ethanamine
CID 142218623
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
N'-[dihydroxy(methyl)-lambda4-sulfanyl]propane-1,3-diamine
CID 144908954

Frequently Asked Questions

What is the IUPAC name of N-[dihydroxy(methyl)-λ4-sulfanyl]ethanamine;ethane?
The IUPAC name of N-[dihydroxy(methyl)-λ4-sulfanyl]ethanamine;ethane (CID 142156755) is N-[dihydroxy(methyl)-λ4-sulfanyl]ethanamine;ethane.
What is the SMILES notation for N-[dihydroxy(methyl)-λ4-sulfanyl]ethanamine;ethane?
The canonical SMILES for N-[dihydroxy(methyl)-λ4-sulfanyl]ethanamine;ethane is CC.CCNS(C)(O)O.
What is the InChIKey of N-[dihydroxy(methyl)-λ4-sulfanyl]ethanamine;ethane?
The InChIKey is GZCXPPWESWEXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H11NO2S.C2H6/c1-3-4-7(2,5)6;1-2/h4-6H,3H2,1-2H3;1-2H3.
What are the key properties of N-[dihydroxy(methyl)-λ4-sulfanyl]ethanamine;ethane?
N-[dihydroxy(methyl)-λ4-sulfanyl]ethanamine;ethane has a molecular weight of 155.26 g/mol, XLogP of 1.92, 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]ethanamine;ethane is sourced from PubChem (CID 142156755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).