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

C12H20N2OS — CID 62058651

IUPAC6-amino-N-[(5-methylthiophen-2-yl)methyl]hexanamide
SMILESCc1ccc(CNC(=O)CCCCCN)s1
InChIInChI=1S/C12H20N2OS/c1-10-6-7-11(16-10)9-14-12(15)5-3-2-4-8-13/h6-7H,2-5,8-9,13H2,1H3,(H,14,15)
InChIKeyTZCXJOXUKVXIHL-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.19
Rot. Bonds7

About 6-amino-N-[(5-methylthiophen-2-yl)methyl]hexanamide

6-amino-N-[(5-methylthiophen-2-yl)methyl]hexanamide (PubChem CID 62058651) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 6-amino-N-[(5-methylthiophen-2-yl)methyl]hexanamide.

Molecular Properties

Compound Name6-amino-N-[(5-methylthiophen-2-yl)methyl]hexanamide
PubChem CID62058651
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name6-amino-N-[(5-methylthiophen-2-yl)methyl]hexanamide
SMILESCc1ccc(CNC(=O)CCCCCN)s1
InChIInChI=1S/C12H20N2OS/c1-10-6-7-11(16-10)9-14-12(15)5-3-2-4-8-13/h6-7H,2-5,8-9,13H2,1H3,(H,14,15)
InChIKeyTZCXJOXUKVXIHL-UHFFFAOYSA-N
XLogP2.19
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-amino-N-[(5-methylthiophen-2-yl)methyl]heptanamide
CID 55029800
2-hydroxy-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 130685032
methyl 4-[(5-methylthiophen-2-yl)methylamino]-4-oxobutanoate
CID 110733948
5-[[4-(5-methylthiophen-2-yl)butanoylamino]methyl]thiophene-2-carboxylic acid
CID 122110444
N-[(5-methylthiophen-2-yl)methyl]-3-(propan-2-ylamino)propanamide
CID 62058099
2-methoxy-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 60776039
3-methyl-N-[(5-methylthiophen-2-yl)methyl]butanamide
CID 110733947
2-(4-aminophenyl)-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 62055681
3-(cyclopropylamino)-N-[(5-methylthiophen-2-yl)methyl]propanamide
CID 62057057
7-amino-N-methyl-N-[(5-methylthiophen-2-yl)methyl]heptanamide;hydrochloride
CID 119773733
2-(2-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 47043670
4-[3-[(5-methylthiophen-2-yl)methylamino]-3-oxopropyl]benzoic acid
CID 119180358

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[(5-methylthiophen-2-yl)methyl]hexanamide?
The IUPAC name of 6-amino-N-[(5-methylthiophen-2-yl)methyl]hexanamide (CID 62058651) is 6-amino-N-[(5-methylthiophen-2-yl)methyl]hexanamide.
What is the SMILES notation for 6-amino-N-[(5-methylthiophen-2-yl)methyl]hexanamide?
The canonical SMILES for 6-amino-N-[(5-methylthiophen-2-yl)methyl]hexanamide is Cc1ccc(CNC(=O)CCCCCN)s1.
What is the InChIKey of 6-amino-N-[(5-methylthiophen-2-yl)methyl]hexanamide?
The InChIKey is TZCXJOXUKVXIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-10-6-7-11(16-10)9-14-12(15)5-3-2-4-8-13/h6-7H,2-5,8-9,13H2,1H3,(H,14,15).
What are the key properties of 6-amino-N-[(5-methylthiophen-2-yl)methyl]hexanamide?
6-amino-N-[(5-methylthiophen-2-yl)methyl]hexanamide has a molecular weight of 240.37 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[(5-methylthiophen-2-yl)methyl]hexanamide is sourced from PubChem (CID 62058651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).