3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-3-hydroxyimino-2-methylpropanamide

C10H14ClN3O2S — CID 76925998

IUPAC3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-3-hydroxyimino-2-methylpropanamide
SMILESCC(C(=O)NC(C)c1ccc(Cl)s1)C(N)=NO
InChIInChI=1S/C10H14ClN3O2S/c1-5(9(12)14-16)10(15)13-6(2)7-3-4-8(11)17-7/h3-6,16H,1-2H3,(H2,12,14)(H,13,15)
InChIKeyYMZUXDGVVDRQIF-UHFFFAOYSA-N
MW275.76 g/mol
LogP1.96
Rot. Bonds4

About 3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-3-hydroxyimino-2-methylpropanamide

3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-3-hydroxyimino-2-methylpropanamide (PubChem CID 76925998) has the molecular formula C10H14ClN3O2S and a molecular weight of 275.76 g/mol. Its IUPAC name is 3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-3-hydroxyimino-2-methylpropanamide.

Molecular Properties

Compound Name3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-3-hydroxyimino-2-methylpropanamide
PubChem CID76925998
Molecular FormulaC10H14ClN3O2S
Molecular Weight275.76 g/mol
Exact Mass275.05
IUPAC Name3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-3-hydroxyimino-2-methylpropanamide
SMILESCC(C(=O)NC(C)c1ccc(Cl)s1)C(N)=NO
InChIInChI=1S/C10H14ClN3O2S/c1-5(9(12)14-16)10(15)13-6(2)7-3-4-8(11)17-7/h3-6,16H,1-2H3,(H2,12,14)(H,13,15)
InChIKeyYMZUXDGVVDRQIF-UHFFFAOYSA-N
XLogP1.96
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.76
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-3-hydroxyimino-2-methylpropanamide?
The IUPAC name of 3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-3-hydroxyimino-2-methylpropanamide (CID 76925998) is 3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-3-hydroxyimino-2-methylpropanamide.
What is the SMILES notation for 3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-3-hydroxyimino-2-methylpropanamide?
The canonical SMILES for 3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-3-hydroxyimino-2-methylpropanamide is CC(C(=O)NC(C)c1ccc(Cl)s1)C(N)=NO.
What is the InChIKey of 3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-3-hydroxyimino-2-methylpropanamide?
The InChIKey is YMZUXDGVVDRQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2S/c1-5(9(12)14-16)10(15)13-6(2)7-3-4-8(11)17-7/h3-6,16H,1-2H3,(H2,12,14)(H,13,15).
What are the key properties of 3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-3-hydroxyimino-2-methylpropanamide?
3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-3-hydroxyimino-2-methylpropanamide has a molecular weight of 275.76 g/mol, XLogP of 1.96, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-3-hydroxyimino-2-methylpropanamide is sourced from PubChem (CID 76925998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).