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

C3H11NO2S — CID 123866040

IUPACN-[dihydroxy(methyl)-λ4-sulfanyl]ethanamine
SMILESCCNS(C)(O)O
InChIInChI=1S/C3H11NO2S/c1-3-4-7(2,5)6/h4-6H,3H2,1-2H3
InChIKeyWZEYCWBXBYTCLM-UHFFFAOYSA-N
MW125.19 g/mol
LogP0.89
Rot. Bonds2

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

N-[dihydroxy(methyl)-λ4-sulfanyl]ethanamine (PubChem CID 123866040) has the molecular formula C3H11NO2S and a molecular weight of 125.19 g/mol. Its IUPAC name is N-[dihydroxy(methyl)-λ4-sulfanyl]ethanamine.

Molecular Properties

Compound NameN-[dihydroxy(methyl)-λ4-sulfanyl]ethanamine
PubChem CID123866040
Molecular FormulaC3H11NO2S
Molecular Weight125.19 g/mol
Exact Mass125.05
IUPAC NameN-[dihydroxy(methyl)-λ4-sulfanyl]ethanamine
SMILESCCNS(C)(O)O
InChIInChI=1S/C3H11NO2S/c1-3-4-7(2,5)6/h4-6H,3H2,1-2H3
InChIKeyWZEYCWBXBYTCLM-UHFFFAOYSA-N
XLogP0.89
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.19
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

ethylsulfamic acid;methane
CID 161279958
N-(hydroxy-oxo-propylidene-λ6-sulfanyl)ethanamine
CID 56635457
N-[dihydroxy(methyl)-λ4-sulfanyl]-2,2-dimethoxyethanamine
CID 143635206
N-(N,S-dimethylsulfonimidoyl)ethanamine
CID 139358066
N-[butyl(dimethyl)-λ4-sulfanyl]ethanamine
CID 129270973
(ethylsulfamoylamino)methanol
CID 117126069
dichloromethane;methanesulfonic acid
CID 22465915
acetic acid;N-ethylsulfamoyl fluoride
CID 175435767
CID 72786756
CID 72786756
methanesulfonic acid;stibane
CID 173129060
methanesulfonic acid;triethyl(methyl)azanium
CID 87743130
hydron;methanesulfonic acid
CID 19767432

Frequently Asked Questions

What is the IUPAC name of N-[dihydroxy(methyl)-λ4-sulfanyl]ethanamine?
The IUPAC name of N-[dihydroxy(methyl)-λ4-sulfanyl]ethanamine (CID 123866040) is N-[dihydroxy(methyl)-λ4-sulfanyl]ethanamine.
What is the SMILES notation for N-[dihydroxy(methyl)-λ4-sulfanyl]ethanamine?
The canonical SMILES for N-[dihydroxy(methyl)-λ4-sulfanyl]ethanamine is CCNS(C)(O)O.
What is the InChIKey of N-[dihydroxy(methyl)-λ4-sulfanyl]ethanamine?
The InChIKey is WZEYCWBXBYTCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H11NO2S/c1-3-4-7(2,5)6/h4-6H,3H2,1-2H3.
What are the key properties of N-[dihydroxy(methyl)-λ4-sulfanyl]ethanamine?
N-[dihydroxy(methyl)-λ4-sulfanyl]ethanamine has a molecular weight of 125.19 g/mol, XLogP of 0.89, 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 is sourced from PubChem (CID 123866040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).