3-amino-N-hexan-3-ylthiophene-2-carboxamide

C11H18N2OS — CID 62092927

IUPAC3-amino-N-hexan-3-ylthiophene-2-carboxamide
SMILESCCCC(CC)NC(=O)c1sccc1N
InChIInChI=1S/C11H18N2OS/c1-3-5-8(4-2)13-11(14)10-9(12)6-7-15-10/h6-8H,3-5,12H2,1-2H3,(H,13,14)
InChIKeyFMQKENODYQKFBC-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.64
Rot. Bonds5

About 3-amino-N-hexan-3-ylthiophene-2-carboxamide

3-amino-N-hexan-3-ylthiophene-2-carboxamide (PubChem CID 62092927) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 3-amino-N-hexan-3-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-hexan-3-ylthiophene-2-carboxamide
PubChem CID62092927
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name3-amino-N-hexan-3-ylthiophene-2-carboxamide
SMILESCCCC(CC)NC(=O)c1sccc1N
InChIInChI=1S/C11H18N2OS/c1-3-5-8(4-2)13-11(14)10-9(12)6-7-15-10/h6-8H,3-5,12H2,1-2H3,(H,13,14)
InChIKeyFMQKENODYQKFBC-UHFFFAOYSA-N
XLogP2.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-aminoprop-1-ynyl)-N-hexan-3-ylthiophene-2-carboxamide
CID 63800405
3-amino-N-(4-hydroxybutan-2-yl)thiophene-2-carboxamide
CID 83176272
3-ethyl-N-(1-hydroxypentan-3-yl)thiophene-2-carboxamide
CID 109479175
4-amino-N-hexan-3-ylbenzamide
CID 62094734
N-(1-aminobutan-2-yl)-3-bromothiophene-2-carboxamide
CID 65193512
3-amino-4-(dimethylamino)-N-hexan-3-ylbenzamide
CID 62092751
3-amino-N-hexan-3-ylnaphthalene-2-carboxamide
CID 62117269
3-amino-2-chloro-N-hexan-3-ylbenzamide
CID 112575833
3-amino-6-bromo-N-hexan-3-yl-1-benzothiophene-2-carboxamide
CID 114907910
4-amino-2-[ethyl(methyl)amino]-N-hexan-3-yl-1,3-thiazole-5-carboxamide
CID 116665198
3-amino-N-(5-methylhexyl)thiophene-2-carboxamide
CID 115324411
N-(1-aminohexan-2-yl)-3-methylthiophene-2-carboxamide
CID 80697346

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-hexan-3-ylthiophene-2-carboxamide?
The IUPAC name of 3-amino-N-hexan-3-ylthiophene-2-carboxamide (CID 62092927) is 3-amino-N-hexan-3-ylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-hexan-3-ylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-hexan-3-ylthiophene-2-carboxamide is CCCC(CC)NC(=O)c1sccc1N.
What is the InChIKey of 3-amino-N-hexan-3-ylthiophene-2-carboxamide?
The InChIKey is FMQKENODYQKFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-3-5-8(4-2)13-11(14)10-9(12)6-7-15-10/h6-8H,3-5,12H2,1-2H3,(H,13,14).
What are the key properties of 3-amino-N-hexan-3-ylthiophene-2-carboxamide?
3-amino-N-hexan-3-ylthiophene-2-carboxamide has a molecular weight of 226.34 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-hexan-3-ylthiophene-2-carboxamide is sourced from PubChem (CID 62092927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).