N-(2-hydroxyethyl)-2-sulfanylacetamide

C4H9NO2S — CID 14480079

IUPACN-(2-hydroxyethyl)-2-sulfanylacetamide
SMILESO=C(CS)NCCO
InChIInChI=1S/C4H9NO2S/c6-2-1-5-4(7)3-8/h6,8H,1-3H2,(H,5,7)
InChIKeyKTAWKMGFQHAPTN-UHFFFAOYSA-N
MW135.19 g/mol
LogP-0.98
Rot. Bonds3

About N-(2-hydroxyethyl)-2-sulfanylacetamide

N-(2-hydroxyethyl)-2-sulfanylacetamide (PubChem CID 14480079) has the molecular formula C4H9NO2S and a molecular weight of 135.19 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-sulfanylacetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-sulfanylacetamide
PubChem CID14480079
Molecular FormulaC4H9NO2S
Molecular Weight135.19 g/mol
Exact Mass135.04
IUPAC NameN-(2-hydroxyethyl)-2-sulfanylacetamide
SMILESO=C(CS)NCCO
InChIInChI=1S/C4H9NO2S/c6-2-1-5-4(7)3-8/h6,8H,1-3H2,(H,5,7)
InChIKeyKTAWKMGFQHAPTN-UHFFFAOYSA-N
XLogP-0.98
TPSA49.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.19
LogP ≤ 5-0.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxyethyl)-N'-(2-sulfanylethyl)propanediamide
CID 19607288
2-sulfanyl-N-[[(2-sulfanylacetyl)amino]methyl]acetamide
CID 22942530
N-butyl-2-sulfanylacetamide;propane
CID 153354639
N-(2-hydroxyethyl)-3-[[3-(2-hydroxyethylamino)-3-oxopropyl]amino]propanamide
CID 86062914
N-(3-aminopropyl)-2-sulfanylacetamide;ethane
CID 143545848
methyl 3-[(2-sulfanylacetyl)amino]propanoate
CID 87900240
N-[2-(dimethylcarbamoylamino)ethyl]-2-sulfanylacetamide
CID 83117465
N,N'-bis(2-hydroxyethyl)-2,2-bis(sulfanyl)butanediamide
CID 87982116
[3-(2-hydroxyethylamino)-3-oxopropyl]carbamic acid
CID 89354433
3-amino-N-(2-hydroxyethyl)-3-sulfanylidenepropanamide
CID 65416830
N-[3-(methanesulfonamido)propyl]-2-sulfanylacetamide
CID 106340083
bis[2-(2-hydroxyethylamino)-2-oxoethoxy]-oxophosphanium
CID 175137539

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-sulfanylacetamide?
The IUPAC name of N-(2-hydroxyethyl)-2-sulfanylacetamide (CID 14480079) is N-(2-hydroxyethyl)-2-sulfanylacetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-sulfanylacetamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-sulfanylacetamide is O=C(CS)NCCO.
What is the InChIKey of N-(2-hydroxyethyl)-2-sulfanylacetamide?
The InChIKey is KTAWKMGFQHAPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2S/c6-2-1-5-4(7)3-8/h6,8H,1-3H2,(H,5,7).
What are the key properties of N-(2-hydroxyethyl)-2-sulfanylacetamide?
N-(2-hydroxyethyl)-2-sulfanylacetamide has a molecular weight of 135.19 g/mol, XLogP of -0.98, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-sulfanylacetamide is sourced from PubChem (CID 14480079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).