N-(2-aminoethyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide;hydrochloride

C16H25ClN2O3S — CID 119382972

IUPACN-(2-aminoethyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide;hydrochloride
SMILESCc1ccc(C)c(S(=O)(=O)C2(C(=O)NCCN)CCCC2)c1.Cl
InChIInChI=1S/C16H24N2O3S.ClH/c1-12-5-6-13(2)14(11-12)22(20,21)16(7-3-4-8-16)15(19)18-10-9-17;/h5-6,11H,3-4,7-10,17H2,1-2H3,(H,18,19);1H
InChIKeyKRVHNTDMAOGOBN-UHFFFAOYSA-N
MW360.91 g/mol
LogP1.89
Rot. Bonds5

About N-(2-aminoethyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide;hydrochloride

N-(2-aminoethyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide;hydrochloride (PubChem CID 119382972) has the molecular formula C16H25ClN2O3S and a molecular weight of 360.91 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide;hydrochloride
PubChem CID119382972
Molecular FormulaC16H25ClN2O3S
Molecular Weight360.91 g/mol
Exact Mass360.13
IUPAC NameN-(2-aminoethyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide;hydrochloride
SMILESCc1ccc(C)c(S(=O)(=O)C2(C(=O)NCCN)CCCC2)c1.Cl
InChIInChI=1S/C16H24N2O3S.ClH/c1-12-5-6-13(2)14(11-12)22(20,21)16(7-3-4-8-16)15(19)18-10-9-17;/h5-6,11H,3-4,7-10,17H2,1-2H3,(H,18,19);1H
InChIKeyKRVHNTDMAOGOBN-UHFFFAOYSA-N
XLogP1.89
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.91
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethylphenyl)sulfonyl-N-[(4-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 46586522
1-(2,5-dimethylphenyl)sulfonyl-N-[(4-methylsulfonylphenyl)methyl]cyclopentane-1-carboxamide
CID 55961278
1-(2,5-dimethylphenyl)sulfonyl-N-[(2R)-2-(ethylamino)propyl]cyclopentane-1-carboxamide
CID 120651689
N-[4-(4-chloroanilino)-4-oxobutyl]-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide
CID 55990316
1-(2,5-dimethylphenyl)sulfonyl-N-pyridin-4-ylcyclopentane-1-carboxamide
CID 51114730
ethyl N-[1-[[1-(2,5-dimethylphenyl)sulfonylcyclopentanecarbonyl]amino]-4-methylpentan-2-yl]carbamate
CID 55673795
N-(2-chloro-4-methylphenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide
CID 24565332
ethyl 4-[[1-(2,5-dimethylphenyl)sulfonylcyclopentanecarbonyl]amino]benzoate
CID 46665840
1-(2,5-dimethylphenyl)sulfonyl-N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]cyclopentane-1-carboxamide
CID 55962108
N'-[2-(2,5-dimethylphenoxy)acetyl]-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carbohydrazide
CID 55464674
N-(3-acetamido-2-methylphenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide
CID 24673698
N-(4-cyanophenyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide
CID 24565396

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide;hydrochloride (CID 119382972) is N-(2-aminoethyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide;hydrochloride is Cc1ccc(C)c(S(=O)(=O)C2(C(=O)NCCN)CCCC2)c1.Cl.
What is the InChIKey of N-(2-aminoethyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide;hydrochloride?
The InChIKey is KRVHNTDMAOGOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S.ClH/c1-12-5-6-13(2)14(11-12)22(20,21)16(7-3-4-8-16)15(19)18-10-9-17;/h5-6,11H,3-4,7-10,17H2,1-2H3,(H,18,19);1H.
What are the key properties of N-(2-aminoethyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide;hydrochloride?
N-(2-aminoethyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide;hydrochloride has a molecular weight of 360.91 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119382972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).