3-amino-N-[2-(cyclopenten-1-yl)ethyl]-5-methylsulfonylbenzamide

C15H20N2O3S — CID 106163893

IUPAC3-amino-N-[2-(cyclopenten-1-yl)ethyl]-5-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1cc(N)cc(C(=O)NCCC2=CCCC2)c1
InChIInChI=1S/C15H20N2O3S/c1-21(19,20)14-9-12(8-13(16)10-14)15(18)17-7-6-11-4-2-3-5-11/h4,8-10H,2-3,5-7,16H2,1H3,(H,17,18)
InChIKeyIBGDQABZYKVXCO-UHFFFAOYSA-N
MW308.40 g/mol
LogP1.90
Rot. Bonds5

About 3-amino-N-[2-(cyclopenten-1-yl)ethyl]-5-methylsulfonylbenzamide

3-amino-N-[2-(cyclopenten-1-yl)ethyl]-5-methylsulfonylbenzamide (PubChem CID 106163893) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 3-amino-N-[2-(cyclopenten-1-yl)ethyl]-5-methylsulfonylbenzamide.

Molecular Properties

Compound Name3-amino-N-[2-(cyclopenten-1-yl)ethyl]-5-methylsulfonylbenzamide
PubChem CID106163893
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name3-amino-N-[2-(cyclopenten-1-yl)ethyl]-5-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1cc(N)cc(C(=O)NCCC2=CCCC2)c1
InChIInChI=1S/C15H20N2O3S/c1-21(19,20)14-9-12(8-13(16)10-14)15(18)17-7-6-11-4-2-3-5-11/h4,8-10H,2-3,5-7,16H2,1H3,(H,17,18)
InChIKeyIBGDQABZYKVXCO-UHFFFAOYSA-N
XLogP1.90
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(2-methylsulfanylethyl)-5-methylsulfonylbenzamide
CID 63983246
3-bromo-5-[2-(cyclopenten-1-yl)ethylcarbamoyl]benzenesulfonyl chloride
CID 106173076
3-amino-N-(4-hydroxypentyl)-5-methylsulfonylbenzamide
CID 106118882
3-[2-(cyclopenten-1-yl)ethylcarbamoyl]benzenesulfonyl chloride
CID 106173095
3-amino-5-methylsulfonyl-N-prop-2-ynylbenzamide
CID 55009391
3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]-5-methylsulfonylbenzamide
CID 114464857
3-amino-N-[2-(cyclohexen-1-yl)ethyl]-4-ethoxybenzamide
CID 61118160
N-[2-(cyclohexen-1-yl)ethyl]-4-methyl-3,5-dinitrobenzamide
CID 17385459
N-[2-(cyclohexen-1-yl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 18108486
N-[2-(cyclopenten-1-yl)ethyl]-4-sulfanylbenzamide
CID 114153830
N-[2-(cyclopenten-1-yl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 106175471
N-[2-(cyclohexen-1-yl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide
CID 951577

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(cyclopenten-1-yl)ethyl]-5-methylsulfonylbenzamide?
The IUPAC name of 3-amino-N-[2-(cyclopenten-1-yl)ethyl]-5-methylsulfonylbenzamide (CID 106163893) is 3-amino-N-[2-(cyclopenten-1-yl)ethyl]-5-methylsulfonylbenzamide.
What is the SMILES notation for 3-amino-N-[2-(cyclopenten-1-yl)ethyl]-5-methylsulfonylbenzamide?
The canonical SMILES for 3-amino-N-[2-(cyclopenten-1-yl)ethyl]-5-methylsulfonylbenzamide is CS(=O)(=O)c1cc(N)cc(C(=O)NCCC2=CCCC2)c1.
What is the InChIKey of 3-amino-N-[2-(cyclopenten-1-yl)ethyl]-5-methylsulfonylbenzamide?
The InChIKey is IBGDQABZYKVXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-21(19,20)14-9-12(8-13(16)10-14)15(18)17-7-6-11-4-2-3-5-11/h4,8-10H,2-3,5-7,16H2,1H3,(H,17,18).
What are the key properties of 3-amino-N-[2-(cyclopenten-1-yl)ethyl]-5-methylsulfonylbenzamide?
3-amino-N-[2-(cyclopenten-1-yl)ethyl]-5-methylsulfonylbenzamide has a molecular weight of 308.40 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(cyclopenten-1-yl)ethyl]-5-methylsulfonylbenzamide is sourced from PubChem (CID 106163893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).