3-amino-N-(2-hydroxyethyl)-3-sulfanylidenepropanamide

C5H10N2O2S — CID 65416830

IUPAC3-amino-N-(2-hydroxyethyl)-3-sulfanylidenepropanamide
SMILESNC(=S)CC(=O)NCCO
InChIInChI=1S/C5H10N2O2S/c6-4(10)3-5(9)7-1-2-8/h8H,1-3H2,(H2,6,10)(H,7,9)
InChIKeySKGXIVZKTWIXPN-UHFFFAOYSA-N
MW162.21 g/mol
LogP-1.23
Rot. Bonds4

About 3-amino-N-(2-hydroxyethyl)-3-sulfanylidenepropanamide

3-amino-N-(2-hydroxyethyl)-3-sulfanylidenepropanamide (PubChem CID 65416830) has the molecular formula C5H10N2O2S and a molecular weight of 162.21 g/mol. Its IUPAC name is 3-amino-N-(2-hydroxyethyl)-3-sulfanylidenepropanamide.

Molecular Properties

Compound Name3-amino-N-(2-hydroxyethyl)-3-sulfanylidenepropanamide
PubChem CID65416830
Molecular FormulaC5H10N2O2S
Molecular Weight162.21 g/mol
Exact Mass162.05
IUPAC Name3-amino-N-(2-hydroxyethyl)-3-sulfanylidenepropanamide
SMILESNC(=S)CC(=O)NCCO
InChIInChI=1S/C5H10N2O2S/c6-4(10)3-5(9)7-1-2-8/h8H,1-3H2,(H2,6,10)(H,7,9)
InChIKeySKGXIVZKTWIXPN-UHFFFAOYSA-N
XLogP-1.23
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 5-1.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(2-methylsulfanylethyl)-3-sulfanylidenepropanamide
CID 63958907
3-amino-N-(3-methylbutyl)-3-sulfanylidenepropanamide
CID 28942423
methyl 3-[(3-amino-3-sulfanylidenepropanoyl)amino]propanoate
CID 61293180
2-hydroxyethylurea;iron
CID 174789558
N-(2-hydroxyethyl)-N'-(2-sulfanylethyl)propanediamide
CID 19607288
ethane;2-hydroxyethylurea
CID 144763401
N-(2-hydroxyethyl)-2-sulfanylacetamide
CID 14480079
ethyl 3-(2-hydroxyethylamino)-3-oxopropanoate
CID 15937007
N-(2-hydroxyethyl)-3-[[3-(2-hydroxyethylamino)-3-oxopropyl]amino]propanamide
CID 86062914
3-amino-N-(2-imidazol-1-ylethyl)-3-sulfanylidenepropanamide
CID 61460885
ethyl 2-[(3-amino-3-sulfanylidenepropanoyl)amino]acetate
CID 60812140
N-(3-amino-3-sulfanylidenepropyl)propanamide
CID 62665728

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-hydroxyethyl)-3-sulfanylidenepropanamide?
The IUPAC name of 3-amino-N-(2-hydroxyethyl)-3-sulfanylidenepropanamide (CID 65416830) is 3-amino-N-(2-hydroxyethyl)-3-sulfanylidenepropanamide.
What is the SMILES notation for 3-amino-N-(2-hydroxyethyl)-3-sulfanylidenepropanamide?
The canonical SMILES for 3-amino-N-(2-hydroxyethyl)-3-sulfanylidenepropanamide is NC(=S)CC(=O)NCCO.
What is the InChIKey of 3-amino-N-(2-hydroxyethyl)-3-sulfanylidenepropanamide?
The InChIKey is SKGXIVZKTWIXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O2S/c6-4(10)3-5(9)7-1-2-8/h8H,1-3H2,(H2,6,10)(H,7,9).
What are the key properties of 3-amino-N-(2-hydroxyethyl)-3-sulfanylidenepropanamide?
3-amino-N-(2-hydroxyethyl)-3-sulfanylidenepropanamide has a molecular weight of 162.21 g/mol, XLogP of -1.23, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-hydroxyethyl)-3-sulfanylidenepropanamide is sourced from PubChem (CID 65416830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).