7-amino-N-(3-ethylsulfanylcyclopentyl)-N-methylheptanamide

C15H30N2OS — CID 119816970

IUPAC7-amino-N-(3-ethylsulfanylcyclopentyl)-N-methylheptanamide
SMILESCCSC1CCC(N(C)C(=O)CCCCCCN)C1
InChIInChI=1S/C15H30N2OS/c1-3-19-14-10-9-13(12-14)17(2)15(18)8-6-4-5-7-11-16/h13-14H,3-12,16H2,1-2H3
InChIKeyYBPKDKFJIJCKHX-UHFFFAOYSA-N
MW286.48 g/mol
LogP3.03
Rot. Bonds9

About 7-amino-N-(3-ethylsulfanylcyclopentyl)-N-methylheptanamide

7-amino-N-(3-ethylsulfanylcyclopentyl)-N-methylheptanamide (PubChem CID 119816970) has the molecular formula C15H30N2OS and a molecular weight of 286.48 g/mol. Its IUPAC name is 7-amino-N-(3-ethylsulfanylcyclopentyl)-N-methylheptanamide.

Molecular Properties

Compound Name7-amino-N-(3-ethylsulfanylcyclopentyl)-N-methylheptanamide
PubChem CID119816970
Molecular FormulaC15H30N2OS
Molecular Weight286.48 g/mol
Exact Mass286.21
IUPAC Name7-amino-N-(3-ethylsulfanylcyclopentyl)-N-methylheptanamide
SMILESCCSC1CCC(N(C)C(=O)CCCCCCN)C1
InChIInChI=1S/C15H30N2OS/c1-3-19-14-10-9-13(12-14)17(2)15(18)8-6-4-5-7-11-16/h13-14H,3-12,16H2,1-2H3
InChIKeyYBPKDKFJIJCKHX-UHFFFAOYSA-N
XLogP3.03
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.48
LogP ≤ 53.03
H-Bond Donors ≤ 51
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-cyclopentyl-N-methylhexanamide
CID 43267226
7-amino-N-methyl-N-(3-methylcyclohexyl)heptanamide
CID 54949044
7-amino-N-cycloheptyl-N-methylheptanamide
CID 43614064
7-amino-N-cyclooctyl-N-methylheptanamide
CID 119763844
(2S)-2-amino-N-(3-ethylsulfanylcyclopentyl)-N-methylpropanamide;hydrochloride
CID 119342646
7-amino-N-methyl-N-(oxan-4-yl)heptanamide
CID 43611104
6-amino-N-methyl-N-(oxan-4-yl)hexanamide
CID 43611096
N-(3-ethylsulfanylcyclopentyl)-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119817015
N-[(1S,3S)-3-ethylsulfanylcyclopentyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 96517817
6-amino-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)hexanamide
CID 54870299
5-[(3-ethylsulfanylcyclopentyl)-methylamino]pentan-1-ol
CID 111490082
N-(4-aminocyclohexyl)-N-methyloctanamide
CID 79121707

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(3-ethylsulfanylcyclopentyl)-N-methylheptanamide?
The IUPAC name of 7-amino-N-(3-ethylsulfanylcyclopentyl)-N-methylheptanamide (CID 119816970) is 7-amino-N-(3-ethylsulfanylcyclopentyl)-N-methylheptanamide.
What is the SMILES notation for 7-amino-N-(3-ethylsulfanylcyclopentyl)-N-methylheptanamide?
The canonical SMILES for 7-amino-N-(3-ethylsulfanylcyclopentyl)-N-methylheptanamide is CCSC1CCC(N(C)C(=O)CCCCCCN)C1.
What is the InChIKey of 7-amino-N-(3-ethylsulfanylcyclopentyl)-N-methylheptanamide?
The InChIKey is YBPKDKFJIJCKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2OS/c1-3-19-14-10-9-13(12-14)17(2)15(18)8-6-4-5-7-11-16/h13-14H,3-12,16H2,1-2H3.
What are the key properties of 7-amino-N-(3-ethylsulfanylcyclopentyl)-N-methylheptanamide?
7-amino-N-(3-ethylsulfanylcyclopentyl)-N-methylheptanamide has a molecular weight of 286.48 g/mol, XLogP of 3.03, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(3-ethylsulfanylcyclopentyl)-N-methylheptanamide is sourced from PubChem (CID 119816970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).