4-[(5-chlorothiophen-2-yl)methylamino]butanamide

C9H13ClN2OS — CID 60863033

IUPAC4-[(5-chlorothiophen-2-yl)methylamino]butanamide
SMILESNC(=O)CCCNCc1ccc(Cl)s1
InChIInChI=1S/C9H13ClN2OS/c10-8-4-3-7(14-8)6-12-5-1-2-9(11)13/h3-4,12H,1-2,5-6H2,(H2,11,13)
InChIKeyJHDOKUNOWAPZHF-UHFFFAOYSA-N
MW232.74 g/mol
LogP1.76
Rot. Bonds6

About 4-[(5-chlorothiophen-2-yl)methylamino]butanamide

4-[(5-chlorothiophen-2-yl)methylamino]butanamide (PubChem CID 60863033) has the molecular formula C9H13ClN2OS and a molecular weight of 232.74 g/mol. Its IUPAC name is 4-[(5-chlorothiophen-2-yl)methylamino]butanamide.

Molecular Properties

Compound Name4-[(5-chlorothiophen-2-yl)methylamino]butanamide
PubChem CID60863033
Molecular FormulaC9H13ClN2OS
Molecular Weight232.74 g/mol
Exact Mass232.04
IUPAC Name4-[(5-chlorothiophen-2-yl)methylamino]butanamide
SMILESNC(=O)CCCNCc1ccc(Cl)s1
InChIInChI=1S/C9H13ClN2OS/c10-8-4-3-7(14-8)6-12-5-1-2-9(11)13/h3-4,12H,1-2,5-6H2,(H2,11,13)
InChIKeyJHDOKUNOWAPZHF-UHFFFAOYSA-N
XLogP1.76
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.74
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[(5-chlorothiophen-2-yl)methylamino]butanoate
CID 60694442
2-[(5-chlorothiophen-2-yl)methylamino]ethanol
CID 28878613
1-[4-[(5-chlorothiophen-2-yl)methylamino]butyl]piperidine-4-carboxamide
CID 38064329
4-[(4-chlorophenyl)methylamino]butanamide
CID 60865007
2-[5-[[(5-chlorothiophen-2-yl)methylamino]methyl]thiophen-2-yl]acetic acid
CID 82894964
2-chloro-N-[(5-chlorothiophen-2-yl)methyl]acetamide
CID 50988904
3-[(5-cyanothiophen-2-yl)methylamino]propanamide
CID 115919596
N-[(5-chlorothiophen-2-yl)methyl]-2-methoxyethanamine
CID 28565625
N-[(5-chlorothiophen-2-yl)methyl]-2-diethoxyphosphorylethanamine
CID 112742514
N-[(5-chlorothiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 28672980
2-butylsulfanyl-N-[(5-chlorothiophen-2-yl)methyl]ethanamine
CID 62578252
2-[2-(aminomethyl)phenyl]-N-[(5-chlorothiophen-2-yl)methyl]ethanamine
CID 81322136

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chlorothiophen-2-yl)methylamino]butanamide?
The IUPAC name of 4-[(5-chlorothiophen-2-yl)methylamino]butanamide (CID 60863033) is 4-[(5-chlorothiophen-2-yl)methylamino]butanamide.
What is the SMILES notation for 4-[(5-chlorothiophen-2-yl)methylamino]butanamide?
The canonical SMILES for 4-[(5-chlorothiophen-2-yl)methylamino]butanamide is NC(=O)CCCNCc1ccc(Cl)s1.
What is the InChIKey of 4-[(5-chlorothiophen-2-yl)methylamino]butanamide?
The InChIKey is JHDOKUNOWAPZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2OS/c10-8-4-3-7(14-8)6-12-5-1-2-9(11)13/h3-4,12H,1-2,5-6H2,(H2,11,13).
What are the key properties of 4-[(5-chlorothiophen-2-yl)methylamino]butanamide?
4-[(5-chlorothiophen-2-yl)methylamino]butanamide has a molecular weight of 232.74 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chlorothiophen-2-yl)methylamino]butanamide is sourced from PubChem (CID 60863033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).