7-amino-N-(2-thiophen-3-ylethyl)heptanamide

C13H22N2OS — CID 54953945

IUPAC7-amino-N-(2-thiophen-3-ylethyl)heptanamide
SMILESNCCCCCCC(=O)NCCc1ccsc1
InChIInChI=1S/C13H22N2OS/c14-8-4-2-1-3-5-13(16)15-9-6-12-7-10-17-11-12/h7,10-11H,1-6,8-9,14H2,(H,15,16)
InChIKeyAOSSIMRFCIFLOJ-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.32
Rot. Bonds9

About 7-amino-N-(2-thiophen-3-ylethyl)heptanamide

7-amino-N-(2-thiophen-3-ylethyl)heptanamide (PubChem CID 54953945) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 7-amino-N-(2-thiophen-3-ylethyl)heptanamide.

Molecular Properties

Compound Name7-amino-N-(2-thiophen-3-ylethyl)heptanamide
PubChem CID54953945
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name7-amino-N-(2-thiophen-3-ylethyl)heptanamide
SMILESNCCCCCCC(=O)NCCc1ccsc1
InChIInChI=1S/C13H22N2OS/c14-8-4-2-1-3-5-13(16)15-9-6-12-7-10-17-11-12/h7,10-11H,1-6,8-9,14H2,(H,15,16)
InChIKeyAOSSIMRFCIFLOJ-UHFFFAOYSA-N
XLogP2.32
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.32
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-(thiophen-3-ylmethyl)heptanamide
CID 63246456
N-(6-aminohexyl)-N'-[2-(4-hydroxyphenyl)ethyl]dodecanediamide
CID 56967020
N-(6-aminohexyl)-N'-[2-(4-hydroxyphenyl)ethyl]hexanediamide
CID 56967019
7-amino-N-[2-(4-tert-butylphenyl)ethyl]heptanamide
CID 119706715
3-amino-3-hydroxyimino-N-(2-thiophen-3-ylethyl)propanamide
CID 61475450
5-oxo-5-(2-thiophen-3-ylethylcarbamoylamino)pentanoic acid
CID 61477594
7-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]heptanamide
CID 119681392
7-amino-N-(2-pyridin-3-ylethyl)heptanamide;dihydrochloride
CID 119842426
4-amino-3-methoxy-N-(2-thiophen-3-ylethyl)butanamide
CID 103155650
7-amino-N-(2-naphthalen-2-ylethyl)heptanamide;hydrochloride
CID 119732863
6-amino-N-(7-aminoheptyl)hexanamide
CID 56980494
N,N'-bis(12-aminododecyl)octanediamide
CID 58602052

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(2-thiophen-3-ylethyl)heptanamide?
The IUPAC name of 7-amino-N-(2-thiophen-3-ylethyl)heptanamide (CID 54953945) is 7-amino-N-(2-thiophen-3-ylethyl)heptanamide.
What is the SMILES notation for 7-amino-N-(2-thiophen-3-ylethyl)heptanamide?
The canonical SMILES for 7-amino-N-(2-thiophen-3-ylethyl)heptanamide is NCCCCCCC(=O)NCCc1ccsc1.
What is the InChIKey of 7-amino-N-(2-thiophen-3-ylethyl)heptanamide?
The InChIKey is AOSSIMRFCIFLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c14-8-4-2-1-3-5-13(16)15-9-6-12-7-10-17-11-12/h7,10-11H,1-6,8-9,14H2,(H,15,16).
What are the key properties of 7-amino-N-(2-thiophen-3-ylethyl)heptanamide?
7-amino-N-(2-thiophen-3-ylethyl)heptanamide has a molecular weight of 254.40 g/mol, XLogP of 2.32, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(2-thiophen-3-ylethyl)heptanamide is sourced from PubChem (CID 54953945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).