3-amino-N-(5-methylhexyl)thiophene-2-carboxamide

C12H20N2OS — CID 115324411

IUPAC3-amino-N-(5-methylhexyl)thiophene-2-carboxamide
SMILESCC(C)CCCCNC(=O)c1sccc1N
InChIInChI=1S/C12H20N2OS/c1-9(2)5-3-4-7-14-12(15)11-10(13)6-8-16-11/h6,8-9H,3-5,7,13H2,1-2H3,(H,14,15)
InChIKeyIRDIPXGHKQPTMY-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.89
Rot. Bonds6

About 3-amino-N-(5-methylhexyl)thiophene-2-carboxamide

3-amino-N-(5-methylhexyl)thiophene-2-carboxamide (PubChem CID 115324411) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 3-amino-N-(5-methylhexyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(5-methylhexyl)thiophene-2-carboxamide
PubChem CID115324411
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name3-amino-N-(5-methylhexyl)thiophene-2-carboxamide
SMILESCC(C)CCCCNC(=O)c1sccc1N
InChIInChI=1S/C12H20N2OS/c1-9(2)5-3-4-7-14-12(15)11-10(13)6-8-16-11/h6,8-9H,3-5,7,13H2,1-2H3,(H,14,15)
InChIKeyIRDIPXGHKQPTMY-UHFFFAOYSA-N
XLogP2.89
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.89
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

N-(2-acetamidoethyl)-3-aminothiophene-2-carboxamide
CID 61092677
3-amino-N-(3-butoxypropyl)thiophene-2-carboxamide
CID 113480998
3-amino-N-(2,3,3-trimethylbutyl)thiophene-2-carboxamide
CID 83142073
4-amino-N-(6-methylheptyl)benzamide
CID 22753103
3-amino-N-(4-hydroxybutan-2-yl)thiophene-2-carboxamide
CID 83176272
3-amino-4-methyl-N-(5-methylhexyl)thieno[2,3-b]pyridine-2-carboxamide
CID 115327426
3-(4-hydroxybut-1-ynyl)-N-(4-methylpentyl)thiophene-2-carboxamide
CID 63797508
methyl 3-[(3-aminothiophene-2-carbonyl)amino]-2-hydroxypropanoate
CID 107211618
2-amino-6-methyl-N-(7-methyloctyl)benzamide
CID 107814563
4-amino-3-chloro-N-(5-methylhexyl)benzamide
CID 115325439
3-amino-N-[3-(tert-butylamino)-3-oxopropyl]thiophene-2-carboxamide
CID 113409472
3-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]thiophene-2-carboxamide
CID 106308533

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-methylhexyl)thiophene-2-carboxamide?
The IUPAC name of 3-amino-N-(5-methylhexyl)thiophene-2-carboxamide (CID 115324411) is 3-amino-N-(5-methylhexyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-(5-methylhexyl)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-(5-methylhexyl)thiophene-2-carboxamide is CC(C)CCCCNC(=O)c1sccc1N.
What is the InChIKey of 3-amino-N-(5-methylhexyl)thiophene-2-carboxamide?
The InChIKey is IRDIPXGHKQPTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-9(2)5-3-4-7-14-12(15)11-10(13)6-8-16-11/h6,8-9H,3-5,7,13H2,1-2H3,(H,14,15).
What are the key properties of 3-amino-N-(5-methylhexyl)thiophene-2-carboxamide?
3-amino-N-(5-methylhexyl)thiophene-2-carboxamide has a molecular weight of 240.37 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-methylhexyl)thiophene-2-carboxamide is sourced from PubChem (CID 115324411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).