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

C14H18N2O2S — CID 55128739

IUPAC3-amino-N-cyclopropyl-N-(2-hydroxyethyl)-2-phenyl-3-sulfanylidenepropanamide
SMILESNC(=S)C(C(=O)N(CCO)C1CC1)c1ccccc1
InChIInChI=1S/C14H18N2O2S/c15-13(19)12(10-4-2-1-3-5-10)14(18)16(8-9-17)11-6-7-11/h1-5,11-12,17H,6-9H2,(H2,15,19)
InChIKeyPHZBBXSWXZZTGJ-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.04
Rot. Bonds6

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

3-amino-N-cyclopropyl-N-(2-hydroxyethyl)-2-phenyl-3-sulfanylidenepropanamide (PubChem CID 55128739) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-N-(2-hydroxyethyl)-2-phenyl-3-sulfanylidenepropanamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-N-(2-hydroxyethyl)-2-phenyl-3-sulfanylidenepropanamide
PubChem CID55128739
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name3-amino-N-cyclopropyl-N-(2-hydroxyethyl)-2-phenyl-3-sulfanylidenepropanamide
SMILESNC(=S)C(C(=O)N(CCO)C1CC1)c1ccccc1
InChIInChI=1S/C14H18N2O2S/c15-13(19)12(10-4-2-1-3-5-10)14(18)16(8-9-17)11-6-7-11/h1-5,11-12,17H,6-9H2,(H2,15,19)
InChIKeyPHZBBXSWXZZTGJ-UHFFFAOYSA-N
XLogP1.04
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.04
H-Bond Donors ≤ 52
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-cyclopentyl-N-(2-hydroxyethyl)-2-phenyl-3-sulfanylidenepropanamide
CID 62878440
3-amino-N-cyclopropyl-N-(2-hydroxyethyl)-3-hydroxyimino-2-phenylpropanamide
CID 76975498
3-amino-N-butyl-N-cyclopropyl-2-phenyl-3-sulfanylidenepropanamide
CID 62876538
3-amino-N-cyclopropyl-N-(2-hydroxyethyl)-2-phenylpropanamide
CID 62878882
2-chloro-N-cyclopropyl-N-(2-hydroxyethyl)-2-phenylacetamide
CID 43578971
3-amino-N-(2-hydroxyethyl)-N-pentan-3-yl-2-phenyl-3-sulfanylidenepropanamide
CID 62878262
2-amino-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)-2-phenylacetamide
CID 60953001
2-cyano-N-cyclopentyl-N-(2-hydroxyethyl)-2-phenylacetamide
CID 62877024
(2S)-2-amino-N-cyclobutyl-N-(3-hydroxypropyl)-2-phenylacetamide
CID 102861821
3-amino-N-methyl-N-(2-methylcyclohexyl)-2-phenyl-3-sulfanylidenepropanamide
CID 62879130
N-cyclobutyl-N-(2-hydroxyethyl)-3-methyl-2-phenylpentanamide
CID 102867408
3-amino-N,N-dibutyl-2-phenyl-3-sulfanylidenepropanamide
CID 62876706

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-N-(2-hydroxyethyl)-2-phenyl-3-sulfanylidenepropanamide?
The IUPAC name of 3-amino-N-cyclopropyl-N-(2-hydroxyethyl)-2-phenyl-3-sulfanylidenepropanamide (CID 55128739) is 3-amino-N-cyclopropyl-N-(2-hydroxyethyl)-2-phenyl-3-sulfanylidenepropanamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-N-(2-hydroxyethyl)-2-phenyl-3-sulfanylidenepropanamide?
The canonical SMILES for 3-amino-N-cyclopropyl-N-(2-hydroxyethyl)-2-phenyl-3-sulfanylidenepropanamide is NC(=S)C(C(=O)N(CCO)C1CC1)c1ccccc1.
What is the InChIKey of 3-amino-N-cyclopropyl-N-(2-hydroxyethyl)-2-phenyl-3-sulfanylidenepropanamide?
The InChIKey is PHZBBXSWXZZTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c15-13(19)12(10-4-2-1-3-5-10)14(18)16(8-9-17)11-6-7-11/h1-5,11-12,17H,6-9H2,(H2,15,19).
What are the key properties of 3-amino-N-cyclopropyl-N-(2-hydroxyethyl)-2-phenyl-3-sulfanylidenepropanamide?
3-amino-N-cyclopropyl-N-(2-hydroxyethyl)-2-phenyl-3-sulfanylidenepropanamide has a molecular weight of 278.38 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-N-(2-hydroxyethyl)-2-phenyl-3-sulfanylidenepropanamide is sourced from PubChem (CID 55128739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).