N-[1-(aminomethyl)cyclopentyl]-3-methylsulfonylbenzamide

C14H20N2O3S — CID 63753605

IUPACN-[1-(aminomethyl)cyclopentyl]-3-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1cccc(C(=O)NC2(CN)CCCC2)c1
InChIInChI=1S/C14H20N2O3S/c1-20(18,19)12-6-4-5-11(9-12)13(17)16-14(10-15)7-2-3-8-14/h4-6,9H,2-3,7-8,10,15H2,1H3,(H,16,17)
InChIKeyLKEFGPKPOWWXGV-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.09
Rot. Bonds4

About N-[1-(aminomethyl)cyclopentyl]-3-methylsulfonylbenzamide

N-[1-(aminomethyl)cyclopentyl]-3-methylsulfonylbenzamide (PubChem CID 63753605) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-3-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-3-methylsulfonylbenzamide
PubChem CID63753605
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-3-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1cccc(C(=O)NC2(CN)CCCC2)c1
InChIInChI=1S/C14H20N2O3S/c1-20(18,19)12-6-4-5-11(9-12)13(17)16-14(10-15)7-2-3-8-14/h4-6,9H,2-3,7-8,10,15H2,1H3,(H,16,17)
InChIKeyLKEFGPKPOWWXGV-UHFFFAOYSA-N
XLogP1.09
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(chloromethyl)cyclopentyl]-3-methylsulfonylbenzamide
CID 114300601
N-[1-(aminomethyl)cyclopentyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 119564871
N-[1-(aminomethyl)cyclopentyl]-3-(benzylsulfamoyl)benzamide
CID 119566712
N-[1-(aminomethyl)cyclopentyl]-3-hydroxybenzamide
CID 63754152
N-[4-(bromomethyl)oxan-4-yl]-3-methylsulfonylbenzamide
CID 106300829
N-[(1-hydroxycyclohexyl)methyl]-3-methylsulfonylbenzamide
CID 64866337
3-acetyl-N-[1-(aminomethyl)cyclopentyl]benzenesulfonamide
CID 63889591
1-N-[1-(aminomethyl)cyclopentyl]-3-N-ethyl-3-N-methylbenzene-1,3-dicarboxamide
CID 119568500
N-[1-(aminomethyl)cyclopentyl]-4-ethylsulfonylbenzamide
CID 119567918
3-[(1-ethylcyclobutyl)carbamoyl]benzenesulfonyl chloride
CID 113488782
N-[1-(aminomethyl)cyclopentyl]-4-(methylsulfonylmethyl)benzamide
CID 119565747
N-hydroxy-3-methylsulfonylbenzamide
CID 24692724

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-3-methylsulfonylbenzamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-3-methylsulfonylbenzamide (CID 63753605) is N-[1-(aminomethyl)cyclopentyl]-3-methylsulfonylbenzamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-3-methylsulfonylbenzamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-3-methylsulfonylbenzamide is CS(=O)(=O)c1cccc(C(=O)NC2(CN)CCCC2)c1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-3-methylsulfonylbenzamide?
The InChIKey is LKEFGPKPOWWXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-20(18,19)12-6-4-5-11(9-12)13(17)16-14(10-15)7-2-3-8-14/h4-6,9H,2-3,7-8,10,15H2,1H3,(H,16,17).
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-3-methylsulfonylbenzamide?
N-[1-(aminomethyl)cyclopentyl]-3-methylsulfonylbenzamide has a molecular weight of 296.39 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-3-methylsulfonylbenzamide is sourced from PubChem (CID 63753605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).