[1-(2,5-dimethylphenyl)sulfonylcyclopentyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride

C20H31ClN2O3S — CID 119560891

IUPAC[1-(2,5-dimethylphenyl)sulfonylcyclopentyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
SMILESCNC1CCN(C(=O)C2(S(=O)(=O)c3cc(C)ccc3C)CCCC2)CC1.Cl
InChIInChI=1S/C20H30N2O3S.ClH/c1-15-6-7-16(2)18(14-15)26(24,25)20(10-4-5-11-20)19(23)22-12-8-17(21-3)9-13-22;/h6-7,14,17,21H,4-5,8-13H2,1-3H3;1H
InChIKeyZOJDPJDSFMDALB-UHFFFAOYSA-N
MW415.00 g/mol
LogP3.02
Rot. Bonds4

About [1-(2,5-dimethylphenyl)sulfonylcyclopentyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride

[1-(2,5-dimethylphenyl)sulfonylcyclopentyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride (PubChem CID 119560891) has the molecular formula C20H31ClN2O3S and a molecular weight of 415.00 g/mol. Its IUPAC name is [1-(2,5-dimethylphenyl)sulfonylcyclopentyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[1-(2,5-dimethylphenyl)sulfonylcyclopentyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
PubChem CID119560891
Molecular FormulaC20H31ClN2O3S
Molecular Weight415.00 g/mol
Exact Mass414.17
IUPAC Name[1-(2,5-dimethylphenyl)sulfonylcyclopentyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
SMILESCNC1CCN(C(=O)C2(S(=O)(=O)c3cc(C)ccc3C)CCCC2)CC1.Cl
InChIInChI=1S/C20H30N2O3S.ClH/c1-15-6-7-16(2)18(14-15)26(24,25)20(10-4-5-11-20)19(23)22-12-8-17(21-3)9-13-22;/h6-7,14,17,21H,4-5,8-13H2,1-3H3;1H
InChIKeyZOJDPJDSFMDALB-UHFFFAOYSA-N
XLogP3.02
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.00
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[1-(2,5-dimethylphenyl)sulfonylcyclopentanecarbonyl]piperidin-4-yl]-2-methylbenzamide
CID 39511914
[1-(2,5-dimethylphenyl)sulfonylcyclopentyl]-piperidin-1-ylmethanone
CID 56807459
[1-[1-(2,5-dimethylphenyl)sulfonylcyclopentanecarbonyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 55527235
[4-(1-aminoethyl)piperidin-1-yl]-[1-(2,5-dimethylphenyl)sulfonylcyclopentyl]methanone
CID 119517880
[1-(2,5-dimethylphenyl)sulfonylcyclopentyl]-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124612732
2-[1-[1-(2,5-dimethylphenyl)sulfonylcyclopentanecarbonyl]piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 55780972
[1-(2,5-dimethylphenyl)sulfonylcyclopentyl]-(3-methylpiperidin-1-yl)methanone
CID 51340161
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[1-(2,5-dimethylphenyl)sulfonylcyclopentyl]methanone
CID 55465847
1-(2,5-dimethylphenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride
CID 119980300
N-(2-aminoethyl)-1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxamide;hydrochloride
CID 119382972
4-[[4-[1-(2,5-dimethylphenyl)sulfonylcyclopentanecarbonyl]-1,4-diazepan-1-yl]methyl]benzonitrile
CID 55469335
1-(2,5-dimethylphenyl)sulfonyl-N-[(4-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 46586522

Frequently Asked Questions

What is the IUPAC name of [1-(2,5-dimethylphenyl)sulfonylcyclopentyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of [1-(2,5-dimethylphenyl)sulfonylcyclopentyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride (CID 119560891) is [1-(2,5-dimethylphenyl)sulfonylcyclopentyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for [1-(2,5-dimethylphenyl)sulfonylcyclopentyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for [1-(2,5-dimethylphenyl)sulfonylcyclopentyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride is CNC1CCN(C(=O)C2(S(=O)(=O)c3cc(C)ccc3C)CCCC2)CC1.Cl.
What is the InChIKey of [1-(2,5-dimethylphenyl)sulfonylcyclopentyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The InChIKey is ZOJDPJDSFMDALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3S.ClH/c1-15-6-7-16(2)18(14-15)26(24,25)20(10-4-5-11-20)19(23)22-12-8-17(21-3)9-13-22;/h6-7,14,17,21H,4-5,8-13H2,1-3H3;1H.
What are the key properties of [1-(2,5-dimethylphenyl)sulfonylcyclopentyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride?
[1-(2,5-dimethylphenyl)sulfonylcyclopentyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride has a molecular weight of 415.00 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,5-dimethylphenyl)sulfonylcyclopentyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119560891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).