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

C12H20N2OS — CID 82851695

IUPAC5-amino-N-[(3-methylthiophen-2-yl)methyl]hexanamide
SMILESCc1ccsc1CNC(=O)CCCC(C)N
InChIInChI=1S/C12H20N2OS/c1-9-6-7-16-11(9)8-14-12(15)5-3-4-10(2)13/h6-7,10H,3-5,8,13H2,1-2H3,(H,14,15)
InChIKeyOIXGPBJZPDHTMY-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.19
Rot. Bonds6

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

5-amino-N-[(3-methylthiophen-2-yl)methyl]hexanamide (PubChem CID 82851695) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 5-amino-N-[(3-methylthiophen-2-yl)methyl]hexanamide.

Molecular Properties

Compound Name5-amino-N-[(3-methylthiophen-2-yl)methyl]hexanamide
PubChem CID82851695
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name5-amino-N-[(3-methylthiophen-2-yl)methyl]hexanamide
SMILESCc1ccsc1CNC(=O)CCCC(C)N
InChIInChI=1S/C12H20N2OS/c1-9-6-7-16-11(9)8-14-12(15)5-3-4-10(2)13/h6-7,10H,3-5,8,13H2,1-2H3,(H,14,15)
InChIKeyOIXGPBJZPDHTMY-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-N-(thiophen-3-ylmethyl)hexanamide
CID 82851671
N-[(3-methylthiophen-2-yl)methyl]-4-phenoxybutanamide
CID 134056517
4-(2-ethoxyphenoxy)-N-[(3-methylthiophen-2-yl)methyl]butanamide
CID 134056527
3-cyano-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 115173840
5-amino-2-methyl-N-[(3-methylthiophen-2-yl)methyl]pentanamide
CID 104685344
5-amino-1-(3-methylthiophen-2-yl)hexan-1-one
CID 116610071
4-(4-methylphenyl)-N-[(3-methylthiophen-2-yl)methyl]-4-oxobutanamide
CID 32958843
2-[3-hydroxybutyl(methyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 111496842
2-(3-methylbutylsulfinyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 75381775
5-amino-N-[(5-bromothiophen-2-yl)methyl]hexanamide
CID 82852008
2-methoxy-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 115588265
4-amino-N-[2-(3-methylthiophen-2-yl)ethyl]butanamide
CID 115155462

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(3-methylthiophen-2-yl)methyl]hexanamide?
The IUPAC name of 5-amino-N-[(3-methylthiophen-2-yl)methyl]hexanamide (CID 82851695) is 5-amino-N-[(3-methylthiophen-2-yl)methyl]hexanamide.
What is the SMILES notation for 5-amino-N-[(3-methylthiophen-2-yl)methyl]hexanamide?
The canonical SMILES for 5-amino-N-[(3-methylthiophen-2-yl)methyl]hexanamide is Cc1ccsc1CNC(=O)CCCC(C)N.
What is the InChIKey of 5-amino-N-[(3-methylthiophen-2-yl)methyl]hexanamide?
The InChIKey is OIXGPBJZPDHTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-9-6-7-16-11(9)8-14-12(15)5-3-4-10(2)13/h6-7,10H,3-5,8,13H2,1-2H3,(H,14,15).
What are the key properties of 5-amino-N-[(3-methylthiophen-2-yl)methyl]hexanamide?
5-amino-N-[(3-methylthiophen-2-yl)methyl]hexanamide has a molecular weight of 240.37 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(3-methylthiophen-2-yl)methyl]hexanamide is sourced from PubChem (CID 82851695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).