7-amino-N-[(5-methylthiophen-2-yl)methyl]heptanamide

C13H22N2OS — CID 55029800

IUPAC7-amino-N-[(5-methylthiophen-2-yl)methyl]heptanamide
SMILESCc1ccc(CNC(=O)CCCCCCN)s1
InChIInChI=1S/C13H22N2OS/c1-11-7-8-12(17-11)10-15-13(16)6-4-2-3-5-9-14/h7-8H,2-6,9-10,14H2,1H3,(H,15,16)
InChIKeyVKLULHXCCLLKHP-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.58
Rot. Bonds8

About 7-amino-N-[(5-methylthiophen-2-yl)methyl]heptanamide

7-amino-N-[(5-methylthiophen-2-yl)methyl]heptanamide (PubChem CID 55029800) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 7-amino-N-[(5-methylthiophen-2-yl)methyl]heptanamide.

Molecular Properties

Compound Name7-amino-N-[(5-methylthiophen-2-yl)methyl]heptanamide
PubChem CID55029800
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name7-amino-N-[(5-methylthiophen-2-yl)methyl]heptanamide
SMILESCc1ccc(CNC(=O)CCCCCCN)s1
InChIInChI=1S/C13H22N2OS/c1-11-7-8-12(17-11)10-15-13(16)6-4-2-3-5-9-14/h7-8H,2-6,9-10,14H2,1H3,(H,15,16)
InChIKeyVKLULHXCCLLKHP-UHFFFAOYSA-N
XLogP2.58
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.58
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

6-amino-N-[(5-methylthiophen-2-yl)methyl]hexanamide
CID 62058651
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 7-amino-N-[(5-methylthiophen-2-yl)methyl]heptanamide?
The IUPAC name of 7-amino-N-[(5-methylthiophen-2-yl)methyl]heptanamide (CID 55029800) is 7-amino-N-[(5-methylthiophen-2-yl)methyl]heptanamide.
What is the SMILES notation for 7-amino-N-[(5-methylthiophen-2-yl)methyl]heptanamide?
The canonical SMILES for 7-amino-N-[(5-methylthiophen-2-yl)methyl]heptanamide is Cc1ccc(CNC(=O)CCCCCCN)s1.
What is the InChIKey of 7-amino-N-[(5-methylthiophen-2-yl)methyl]heptanamide?
The InChIKey is VKLULHXCCLLKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-11-7-8-12(17-11)10-15-13(16)6-4-2-3-5-9-14/h7-8H,2-6,9-10,14H2,1H3,(H,15,16).
What are the key properties of 7-amino-N-[(5-methylthiophen-2-yl)methyl]heptanamide?
7-amino-N-[(5-methylthiophen-2-yl)methyl]heptanamide has a molecular weight of 254.40 g/mol, XLogP of 2.58, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[(5-methylthiophen-2-yl)methyl]heptanamide is sourced from PubChem (CID 55029800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).