5-amino-N-(thiophen-3-ylmethyl)hexanamide

C11H18N2OS — CID 82851671

IUPAC5-amino-N-(thiophen-3-ylmethyl)hexanamide
SMILESCC(N)CCCC(=O)NCc1ccsc1
InChIInChI=1S/C11H18N2OS/c1-9(12)3-2-4-11(14)13-7-10-5-6-15-8-10/h5-6,8-9H,2-4,7,12H2,1H3,(H,13,14)
InChIKeyQEDWNWXGYOJYEP-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.88
Rot. Bonds6

About 5-amino-N-(thiophen-3-ylmethyl)hexanamide

5-amino-N-(thiophen-3-ylmethyl)hexanamide (PubChem CID 82851671) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 5-amino-N-(thiophen-3-ylmethyl)hexanamide.

Molecular Properties

Compound Name5-amino-N-(thiophen-3-ylmethyl)hexanamide
PubChem CID82851671
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name5-amino-N-(thiophen-3-ylmethyl)hexanamide
SMILESCC(N)CCCC(=O)NCc1ccsc1
InChIInChI=1S/C11H18N2OS/c1-9(12)3-2-4-11(14)13-7-10-5-6-15-8-10/h5-6,8-9H,2-4,7,12H2,1H3,(H,13,14)
InChIKeyQEDWNWXGYOJYEP-UHFFFAOYSA-N
XLogP1.88
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-amino-N-(thiophen-3-ylmethyl)heptanamide
CID 63246456
3-(methylamino)-N-(thiophen-3-ylmethyl)propanamide
CID 63246869
5-amino-N-[(1-methylpyrrol-3-yl)methyl]hexanamide
CID 106390854
5-amino-N-[(3-methylthiophen-2-yl)methyl]hexanamide
CID 82851695
2-amino-4-methyl-N-(thiophen-3-ylmethyl)pentanamide
CID 63246547
5-amino-N-[(5-bromothiophen-2-yl)methyl]hexanamide
CID 82852008
(2S)-2-amino-N-(thiophen-3-ylmethyl)butanamide
CID 79023085
1-(4-hydroxy-2-methylbutyl)-3-(thiophen-3-ylmethyl)urea
CID 111504571
4-amino-N-[(4-methylphenyl)methyl]pentanamide;hydrochloride
CID 120558836
3-amino-2-methyl-3-sulfanylidene-N-(thiophen-3-ylmethyl)propanamide
CID 63243923
5-amino-N-[(1-methylpyrrol-2-yl)methyl]hexanamide
CID 106416804
2,3-dimethyl-4-oxo-4-(thiophen-3-ylmethylamino)butanoic acid
CID 103498386

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(thiophen-3-ylmethyl)hexanamide?
The IUPAC name of 5-amino-N-(thiophen-3-ylmethyl)hexanamide (CID 82851671) is 5-amino-N-(thiophen-3-ylmethyl)hexanamide.
What is the SMILES notation for 5-amino-N-(thiophen-3-ylmethyl)hexanamide?
The canonical SMILES for 5-amino-N-(thiophen-3-ylmethyl)hexanamide is CC(N)CCCC(=O)NCc1ccsc1.
What is the InChIKey of 5-amino-N-(thiophen-3-ylmethyl)hexanamide?
The InChIKey is QEDWNWXGYOJYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-9(12)3-2-4-11(14)13-7-10-5-6-15-8-10/h5-6,8-9H,2-4,7,12H2,1H3,(H,13,14).
What are the key properties of 5-amino-N-(thiophen-3-ylmethyl)hexanamide?
5-amino-N-(thiophen-3-ylmethyl)hexanamide has a molecular weight of 226.34 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(thiophen-3-ylmethyl)hexanamide is sourced from PubChem (CID 82851671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).