ethane;N-methyl-2-(trihydroxy-λ4-sulfanyl)ethanamine

C5H17NO3S — CID 164925277

IUPACethane;N-methyl-2-(trihydroxy-λ4-sulfanyl)ethanamine
SMILESCC.CNCCS(O)(O)O
InChIInChI=1S/C3H11NO3S.C2H6/c1-4-2-3-8(5,6)7;1-2/h4-7H,2-3H2,1H3;1-2H3
InChIKeyMYCFEOGBCBWSIS-UHFFFAOYSA-N
MW171.26 g/mol
LogP1.46
Rot. Bonds3

About ethane;N-methyl-2-(trihydroxy-λ4-sulfanyl)ethanamine

ethane;N-methyl-2-(trihydroxy-λ4-sulfanyl)ethanamine (PubChem CID 164925277) has the molecular formula C5H17NO3S and a molecular weight of 171.26 g/mol. Its IUPAC name is ethane;N-methyl-2-(trihydroxy-λ4-sulfanyl)ethanamine.

Molecular Properties

Compound Nameethane;N-methyl-2-(trihydroxy-λ4-sulfanyl)ethanamine
PubChem CID164925277
Molecular FormulaC5H17NO3S
Molecular Weight171.26 g/mol
Exact Mass171.09
IUPAC Nameethane;N-methyl-2-(trihydroxy-λ4-sulfanyl)ethanamine
SMILESCC.CNCCS(O)(O)O
InChIInChI=1S/C3H11NO3S.C2H6/c1-4-2-3-8(5,6)7;1-2/h4-7H,2-3H2,1H3;1-2H3
InChIKeyMYCFEOGBCBWSIS-UHFFFAOYSA-N
XLogP1.46
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 51.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Methylamino)ethanesulfinic acid
CID 18740582
N-methyl-2-(trioxidanylsulfanyl)ethanamine
CID 59163419
2-hydroxysulfanyl-N-methylethanamine
CID 137386175
Ethane;2-(trihydroxy-lambda4-sulfanyl)ethanamine
CID 142218623
2-[amino(dihydroxy)-lambda4-sulfanyl]-N-methylethanamine
CID 142366014
2-[amino(dihydroxy)-lambda4-sulfanyl]-N-ethylethanamine
CID 142529660
N-ethyl-3-hydroxysulfanylpropan-1-amine
CID 143236217
2-[dihydroxy(methyl)-lambda4-sulfanyl]-N-methylethanamine
CID 143254270
Ethane;2-(methylamino)ethanesulfinic acid
CID 144465655
2-[dihydroxy(methylamino)-lambda4-sulfanyl]-N,N-dimethylethanamine;ethane
CID 144965918
2-[Dimethylamino(dihydroxy)-lambda4-sulfanyl]ethanamine
CID 145135290
2-[dihydroxy(methyl)-lambda4-sulfanyl]-N-methylethanamine;ethane
CID 145190767

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-2-(trihydroxy-λ4-sulfanyl)ethanamine?
The IUPAC name of ethane;N-methyl-2-(trihydroxy-λ4-sulfanyl)ethanamine (CID 164925277) is ethane;N-methyl-2-(trihydroxy-λ4-sulfanyl)ethanamine.
What is the SMILES notation for ethane;N-methyl-2-(trihydroxy-λ4-sulfanyl)ethanamine?
The canonical SMILES for ethane;N-methyl-2-(trihydroxy-λ4-sulfanyl)ethanamine is CC.CNCCS(O)(O)O.
What is the InChIKey of ethane;N-methyl-2-(trihydroxy-λ4-sulfanyl)ethanamine?
The InChIKey is MYCFEOGBCBWSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H11NO3S.C2H6/c1-4-2-3-8(5,6)7;1-2/h4-7H,2-3H2,1H3;1-2H3.
What are the key properties of ethane;N-methyl-2-(trihydroxy-λ4-sulfanyl)ethanamine?
ethane;N-methyl-2-(trihydroxy-λ4-sulfanyl)ethanamine has a molecular weight of 171.26 g/mol, XLogP of 1.46, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-2-(trihydroxy-λ4-sulfanyl)ethanamine is sourced from PubChem (CID 164925277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).