5-amino-3-methyl-5-(5-methylthiophen-2-yl)pentanamide

C11H18N2OS — CID 62933991

IUPAC5-amino-3-methyl-5-(5-methylthiophen-2-yl)pentanamide
SMILESCc1ccc(C(N)CC(C)CC(N)=O)s1
InChIInChI=1S/C11H18N2OS/c1-7(6-11(13)14)5-9(12)10-4-3-8(2)15-10/h3-4,7,9H,5-6,12H2,1-2H3,(H2,13,14)
InChIKeyZJKIZLRKUFPSCF-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.96
Rot. Bonds5

About 5-amino-3-methyl-5-(5-methylthiophen-2-yl)pentanamide

5-amino-3-methyl-5-(5-methylthiophen-2-yl)pentanamide (PubChem CID 62933991) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 5-amino-3-methyl-5-(5-methylthiophen-2-yl)pentanamide.

Molecular Properties

Compound Name5-amino-3-methyl-5-(5-methylthiophen-2-yl)pentanamide
PubChem CID62933991
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name5-amino-3-methyl-5-(5-methylthiophen-2-yl)pentanamide
SMILESCc1ccc(C(N)CC(C)CC(N)=O)s1
InChIInChI=1S/C11H18N2OS/c1-7(6-11(13)14)5-9(12)10-4-3-8(2)15-10/h3-4,7,9H,5-6,12H2,1-2H3,(H2,13,14)
InChIKeyZJKIZLRKUFPSCF-UHFFFAOYSA-N
XLogP1.96
TPSA69.11 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 ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-3-methyl-5-thiophen-2-ylpentanamide
CID 62933995
5-amino-3-methyl-5-(4-methylphenyl)pentanamide
CID 62934157
2-amino-2-(5-methylthiophen-2-yl)ethanol
CID 56828532
methyl 5-amino-5-(5-bromothiophen-2-yl)-3-methylpentanoate
CID 62942196
(1R)-1-(5-methylthiophen-2-yl)propane-1,3-diamine;hydrochloride
CID 171202338
3-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide
CID 60963185
(4S)-4-amino-4-(5-methylthiophen-2-yl)butan-1-ol;hydrochloride
CID 171221924
3-amino-3-(5-methylthiophen-2-yl)propanal
CID 142024929
5-amino-3-methyl-5-[4-(2-methylbutan-2-yl)phenyl]pentanamide
CID 66259950
1-(5-methylthiophen-2-yl)-2-propan-2-yloxyethanamine
CID 115577931
1-(5-methylthiophen-2-yl)ethylurea
CID 61356567
ethyl 2-[2-amino-2-(5-methylthiophen-2-yl)ethoxy]acetate
CID 61327208

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-methyl-5-(5-methylthiophen-2-yl)pentanamide?
The IUPAC name of 5-amino-3-methyl-5-(5-methylthiophen-2-yl)pentanamide (CID 62933991) is 5-amino-3-methyl-5-(5-methylthiophen-2-yl)pentanamide.
What is the SMILES notation for 5-amino-3-methyl-5-(5-methylthiophen-2-yl)pentanamide?
The canonical SMILES for 5-amino-3-methyl-5-(5-methylthiophen-2-yl)pentanamide is Cc1ccc(C(N)CC(C)CC(N)=O)s1.
What is the InChIKey of 5-amino-3-methyl-5-(5-methylthiophen-2-yl)pentanamide?
The InChIKey is ZJKIZLRKUFPSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-7(6-11(13)14)5-9(12)10-4-3-8(2)15-10/h3-4,7,9H,5-6,12H2,1-2H3,(H2,13,14).
What are the key properties of 5-amino-3-methyl-5-(5-methylthiophen-2-yl)pentanamide?
5-amino-3-methyl-5-(5-methylthiophen-2-yl)pentanamide has a molecular weight of 226.34 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-methyl-5-(5-methylthiophen-2-yl)pentanamide is sourced from PubChem (CID 62933991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).