5-amino-2-methyl-N-[(3-methylthiophen-2-yl)methyl]pentanamide

C12H20N2OS — CID 104685344

IUPAC5-amino-2-methyl-N-[(3-methylthiophen-2-yl)methyl]pentanamide
SMILESCc1ccsc1CNC(=O)C(C)CCCN
InChIInChI=1S/C12H20N2OS/c1-9-5-7-16-11(9)8-14-12(15)10(2)4-3-6-13/h5,7,10H,3-4,6,8,13H2,1-2H3,(H,14,15)
InChIKeyWHXIELJEANQVGF-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.05
Rot. Bonds6

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

5-amino-2-methyl-N-[(3-methylthiophen-2-yl)methyl]pentanamide (PubChem CID 104685344) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 5-amino-2-methyl-N-[(3-methylthiophen-2-yl)methyl]pentanamide.

Molecular Properties

Compound Name5-amino-2-methyl-N-[(3-methylthiophen-2-yl)methyl]pentanamide
PubChem CID104685344
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name5-amino-2-methyl-N-[(3-methylthiophen-2-yl)methyl]pentanamide
SMILESCc1ccsc1CNC(=O)C(C)CCCN
InChIInChI=1S/C12H20N2OS/c1-9-5-7-16-11(9)8-14-12(15)10(2)4-3-6-13/h5,7,10H,3-4,6,8,13H2,1-2H3,(H,14,15)
InChIKeyWHXIELJEANQVGF-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 115588265
5-amino-N-[(3-methylthiophen-2-yl)methyl]hexanamide
CID 82851695
2-[(3-methylthiophen-2-yl)methylcarbamoyl]butanoic acid
CID 115186004
2-amino-2-(4-methylphenyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 106151252
1-(5-methylhexan-2-yl)-3-[(3-methylthiophen-2-yl)methyl]urea
CID 78880733
N-ethyl-2-[(3-methylthiophen-2-yl)methylamino]propanamide
CID 43400102
(2S)-4-methylsulfanyl-N-[(3-methylthiophen-2-yl)methyl]-2-(propanoylamino)butanamide
CID 94207941
N-[(3-methylthiophen-2-yl)methyl]-2-pyrazol-1-ylpropanamide
CID 47163720
2-amino-2-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide;hydrochloride
CID 119280432
ethyl 2-[(3-methylthiophen-2-yl)methylcarbamoylamino]acetate
CID 112730433
1,1-dimethyl-3-[(3-methylthiophen-2-yl)methyl]urea
CID 115579180
2,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 112725782

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-N-[(3-methylthiophen-2-yl)methyl]pentanamide?
The IUPAC name of 5-amino-2-methyl-N-[(3-methylthiophen-2-yl)methyl]pentanamide (CID 104685344) is 5-amino-2-methyl-N-[(3-methylthiophen-2-yl)methyl]pentanamide.
What is the SMILES notation for 5-amino-2-methyl-N-[(3-methylthiophen-2-yl)methyl]pentanamide?
The canonical SMILES for 5-amino-2-methyl-N-[(3-methylthiophen-2-yl)methyl]pentanamide is Cc1ccsc1CNC(=O)C(C)CCCN.
What is the InChIKey of 5-amino-2-methyl-N-[(3-methylthiophen-2-yl)methyl]pentanamide?
The InChIKey is WHXIELJEANQVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-9-5-7-16-11(9)8-14-12(15)10(2)4-3-6-13/h5,7,10H,3-4,6,8,13H2,1-2H3,(H,14,15).
What are the key properties of 5-amino-2-methyl-N-[(3-methylthiophen-2-yl)methyl]pentanamide?
5-amino-2-methyl-N-[(3-methylthiophen-2-yl)methyl]pentanamide has a molecular weight of 240.37 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-N-[(3-methylthiophen-2-yl)methyl]pentanamide is sourced from PubChem (CID 104685344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).