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

C4H13NO2S — CID 142211074

IUPACN-[ethyl(dihydroxy)-λ4-sulfanyl]ethanamine
SMILESCCNS(O)(O)CC
InChIInChI=1S/C4H13NO2S/c1-3-5-8(6,7)4-2/h5-7H,3-4H2,1-2H3
InChIKeyNRBCVUXFVVTNEI-UHFFFAOYSA-N
MW139.22 g/mol
LogP1.28
Rot. Bonds3

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

N-[ethyl(dihydroxy)-λ4-sulfanyl]ethanamine (PubChem CID 142211074) has the molecular formula C4H13NO2S and a molecular weight of 139.22 g/mol. Its IUPAC name is N-[ethyl(dihydroxy)-λ4-sulfanyl]ethanamine.

Molecular Properties

Compound NameN-[ethyl(dihydroxy)-λ4-sulfanyl]ethanamine
PubChem CID142211074
Molecular FormulaC4H13NO2S
Molecular Weight139.22 g/mol
Exact Mass139.07
IUPAC NameN-[ethyl(dihydroxy)-λ4-sulfanyl]ethanamine
SMILESCCNS(O)(O)CC
InChIInChI=1S/C4H13NO2S/c1-3-5-8(6,7)4-2/h5-7H,3-4H2,1-2H3
InChIKeyNRBCVUXFVVTNEI-UHFFFAOYSA-N
XLogP1.28
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.22
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[dihydroxy(2,2,2-trifluoroethyl)-lambda4-sulfanyl]ethanamine
CID 170709289
2-(Trihydroxy-lambda4-sulfanyl)ethanamine
CID 23530470
N-(hydroxy-oxo-propylidene-lambda6-sulfanyl)propan-1-amine
CID 56611451
N-(ethylidene-hydroxy-oxo-lambda6-sulfanyl)propan-1-amine
CID 56612901
N-(hydroxy-oxo-propylidene-lambda6-sulfanyl)ethanamine
CID 56635457
N-(ethylidene-hydroxy-oxo-lambda6-sulfanyl)ethanamine
CID 56635814
N-(butylidene-hydroxy-oxo-lambda6-sulfanyl)ethanamine
CID 123573680
N-[dihydroxy(methyl)-lambda4-sulfanyl]ethanamine
CID 123866040
N-[dihydroxy(methyl)-lambda4-sulfanyl]ethanamine;ethane
CID 142156755
Ethane;2-(trihydroxy-lambda4-sulfanyl)ethanamine
CID 142218623
2-[Amino(dihydroxy)-lambda4-sulfanyl]ethanamine
CID 142366006
4-[Amino(dihydroxy)-lambda4-sulfanyl]butan-2-amine
CID 142529596

Frequently Asked Questions

What is the IUPAC name of N-[ethyl(dihydroxy)-λ4-sulfanyl]ethanamine?
The IUPAC name of N-[ethyl(dihydroxy)-λ4-sulfanyl]ethanamine (CID 142211074) is N-[ethyl(dihydroxy)-λ4-sulfanyl]ethanamine.
What is the SMILES notation for N-[ethyl(dihydroxy)-λ4-sulfanyl]ethanamine?
The canonical SMILES for N-[ethyl(dihydroxy)-λ4-sulfanyl]ethanamine is CCNS(O)(O)CC.
What is the InChIKey of N-[ethyl(dihydroxy)-λ4-sulfanyl]ethanamine?
The InChIKey is NRBCVUXFVVTNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H13NO2S/c1-3-5-8(6,7)4-2/h5-7H,3-4H2,1-2H3.
What are the key properties of N-[ethyl(dihydroxy)-λ4-sulfanyl]ethanamine?
N-[ethyl(dihydroxy)-λ4-sulfanyl]ethanamine has a molecular weight of 139.22 g/mol, XLogP of 1.28, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[ethyl(dihydroxy)-λ4-sulfanyl]ethanamine is sourced from PubChem (CID 142211074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).