3-amino-N-[4-(2-hydroxyethyl)phenyl]-3-sulfanylidenepropanamide

C11H14N2O2S — CID 61236630

IUPAC3-amino-N-[4-(2-hydroxyethyl)phenyl]-3-sulfanylidenepropanamide
SMILESNC(=S)CC(=O)Nc1ccc(CCO)cc1
InChIInChI=1S/C11H14N2O2S/c12-10(16)7-11(15)13-9-3-1-8(2-4-9)5-6-14/h1-4,14H,5-7H2,(H2,12,16)(H,13,15)
InChIKeyKNASZCPLSFQZTL-UHFFFAOYSA-N
MW238.31 g/mol
LogP0.84
Rot. Bonds5

About 3-amino-N-[4-(2-hydroxyethyl)phenyl]-3-sulfanylidenepropanamide

3-amino-N-[4-(2-hydroxyethyl)phenyl]-3-sulfanylidenepropanamide (PubChem CID 61236630) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is 3-amino-N-[4-(2-hydroxyethyl)phenyl]-3-sulfanylidenepropanamide.

Molecular Properties

Compound Name3-amino-N-[4-(2-hydroxyethyl)phenyl]-3-sulfanylidenepropanamide
PubChem CID61236630
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC Name3-amino-N-[4-(2-hydroxyethyl)phenyl]-3-sulfanylidenepropanamide
SMILESNC(=S)CC(=O)Nc1ccc(CCO)cc1
InChIInChI=1S/C11H14N2O2S/c12-10(16)7-11(15)13-9-3-1-8(2-4-9)5-6-14/h1-4,14H,5-7H2,(H2,12,16)(H,13,15)
InChIKeyKNASZCPLSFQZTL-UHFFFAOYSA-N
XLogP0.84
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 50.84
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

4-[(3-amino-3-sulfanylidenepropanoyl)amino]benzamide
CID 28942422
N-[4-(2-hydroxyethyl)phenyl]acetamide
CID 3295905
[4-(2-hydroxyethyl)phenyl]carbamodithioic acid
CID 155817851
2-anilino-N-[4-(2-hydroxyethyl)phenyl]acetamide
CID 61237525
2-(4-bromophenoxy)-N-[4-(2-hydroxyethyl)phenyl]acetamide
CID 55989555
N-[4-(2-amino-2-sulfanylideneethyl)phenyl]-3,3,3-trifluoropropanamide
CID 62303741
2-tert-butylsulfanyl-N-[4-(2-hydroxyethyl)phenyl]acetamide
CID 61222140
3,6-dichloro-N-[4-(2-hydroxyethyl)phenyl]pyridazine-4-carboxamide
CID 61221964
2-(2,6-dichlorophenyl)-N-[4-(2-hydroxyethyl)phenyl]acetamide
CID 51985201
6-amino-N-[4-(2-hydroxyethyl)phenyl]pyridazine-3-carboxamide
CID 55041891
3-[4-(carbamothioylamino)phenyl]propanoic acid
CID 23224886
N-[4-(2-hydroxyethyl)phenyl]-2-(2-phenylphenoxy)acetamide
CID 110906499

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(2-hydroxyethyl)phenyl]-3-sulfanylidenepropanamide?
The IUPAC name of 3-amino-N-[4-(2-hydroxyethyl)phenyl]-3-sulfanylidenepropanamide (CID 61236630) is 3-amino-N-[4-(2-hydroxyethyl)phenyl]-3-sulfanylidenepropanamide.
What is the SMILES notation for 3-amino-N-[4-(2-hydroxyethyl)phenyl]-3-sulfanylidenepropanamide?
The canonical SMILES for 3-amino-N-[4-(2-hydroxyethyl)phenyl]-3-sulfanylidenepropanamide is NC(=S)CC(=O)Nc1ccc(CCO)cc1.
What is the InChIKey of 3-amino-N-[4-(2-hydroxyethyl)phenyl]-3-sulfanylidenepropanamide?
The InChIKey is KNASZCPLSFQZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c12-10(16)7-11(15)13-9-3-1-8(2-4-9)5-6-14/h1-4,14H,5-7H2,(H2,12,16)(H,13,15).
What are the key properties of 3-amino-N-[4-(2-hydroxyethyl)phenyl]-3-sulfanylidenepropanamide?
3-amino-N-[4-(2-hydroxyethyl)phenyl]-3-sulfanylidenepropanamide has a molecular weight of 238.31 g/mol, XLogP of 0.84, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(2-hydroxyethyl)phenyl]-3-sulfanylidenepropanamide is sourced from PubChem (CID 61236630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).