N,3-dimethyl-N-[(1S)-4-(4-methylpiperidin-1-yl)cyclopent-2-en-1-yl]benzenesulfonamide

C19H28N2O2S — CID 70035700

IUPACN,3-dimethyl-N-[(1S)-4-(4-methylpiperidin-1-yl)cyclopent-2-en-1-yl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)N(C)[C@@H]2C=CC(N3CCC(C)CC3)C2)c1
InChIInChI=1S/C19H28N2O2S/c1-15-9-11-21(12-10-15)18-8-7-17(14-18)20(3)24(22,23)19-6-4-5-16(2)13-19/h4-8,13,15,17-18H,9-12,14H2,1-3H3/t17-,18?/m1/s1
InChIKeyQPFQLAGLACUCCM-QNSVNVJESA-N
MW348.51 g/mol
LogP3.04
Rot. Bonds4

About N,3-dimethyl-N-[(1S)-4-(4-methylpiperidin-1-yl)cyclopent-2-en-1-yl]benzenesulfonamide

N,3-dimethyl-N-[(1S)-4-(4-methylpiperidin-1-yl)cyclopent-2-en-1-yl]benzenesulfonamide (PubChem CID 70035700) has the molecular formula C19H28N2O2S and a molecular weight of 348.51 g/mol. Its IUPAC name is N,3-dimethyl-N-[(1S)-4-(4-methylpiperidin-1-yl)cyclopent-2-en-1-yl]benzenesulfonamide.

Molecular Properties

Compound NameN,3-dimethyl-N-[(1S)-4-(4-methylpiperidin-1-yl)cyclopent-2-en-1-yl]benzenesulfonamide
PubChem CID70035700
Molecular FormulaC19H28N2O2S
Molecular Weight348.51 g/mol
Exact Mass348.19
IUPAC NameN,3-dimethyl-N-[(1S)-4-(4-methylpiperidin-1-yl)cyclopent-2-en-1-yl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)N(C)[C@@H]2C=CC(N3CCC(C)CC3)C2)c1
InChIInChI=1S/C19H28N2O2S/c1-15-9-11-21(12-10-15)18-8-7-17(14-18)20(3)24(22,23)19-6-4-5-16(2)13-19/h4-8,13,15,17-18H,9-12,14H2,1-3H3/t17-,18?/m1/s1
InChIKeyQPFQLAGLACUCCM-QNSVNVJESA-N
XLogP3.04
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.51
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,3-dimethyl-N-[(1S,4R)-4-[4-(trifluoromethyl)piperidin-1-yl]cyclopent-2-en-1-yl]benzenesulfonamide;hydrochloride
CID 69420296
N,3-dimethyl-N-[4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)cyclopent-2-en-1-yl]benzenesulfonamide
CID 69421229
N-[(1S,4R)-4-[(3S)-3-cyclohexylpiperidin-1-yl]cyclopent-2-en-1-yl]-N,3-dimethylbenzenesulfonamide
CID 69421248
[(1R,4S)-4-[methyl-(3-methylphenyl)sulfonylamino]cyclopent-2-en-1-yl] acetate
CID 69421052
N-[3-(4-tert-butylpiperidin-1-yl)cyclopentyl]-N,3-dimethylbenzenesulfonamide
CID 69419874
3-chloro-N-methyl-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]benzenesulfonamide;hydrochloride
CID 69420299
N,N-dimethyl-4-(3-methylphenyl)sulfonyl-1,4-diazepane-1-sulfonamide
CID 110799696
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)cyclopentyl]-N,3-dimethylbenzenesulfonamide
CID 69419689
3-(4-methylpiperidin-1-yl)sulfonylaniline
CID 3170436
1-(cyclopropylmethyl)-4-(3-methylphenyl)sulfonylpiperazine
CID 110708713
N-(2-aminocyclohexyl)-N,3-dimethylbenzenesulfonamide
CID 102639357
1-cycloheptyl-4-(3-methylphenyl)sulfonylpiperazine
CID 113074976

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-[(1S)-4-(4-methylpiperidin-1-yl)cyclopent-2-en-1-yl]benzenesulfonamide?
The IUPAC name of N,3-dimethyl-N-[(1S)-4-(4-methylpiperidin-1-yl)cyclopent-2-en-1-yl]benzenesulfonamide (CID 70035700) is N,3-dimethyl-N-[(1S)-4-(4-methylpiperidin-1-yl)cyclopent-2-en-1-yl]benzenesulfonamide.
What is the SMILES notation for N,3-dimethyl-N-[(1S)-4-(4-methylpiperidin-1-yl)cyclopent-2-en-1-yl]benzenesulfonamide?
The canonical SMILES for N,3-dimethyl-N-[(1S)-4-(4-methylpiperidin-1-yl)cyclopent-2-en-1-yl]benzenesulfonamide is Cc1cccc(S(=O)(=O)N(C)[C@@H]2C=CC(N3CCC(C)CC3)C2)c1.
What is the InChIKey of N,3-dimethyl-N-[(1S)-4-(4-methylpiperidin-1-yl)cyclopent-2-en-1-yl]benzenesulfonamide?
The InChIKey is QPFQLAGLACUCCM-QNSVNVJESA-N. The full InChI is InChI=1S/C19H28N2O2S/c1-15-9-11-21(12-10-15)18-8-7-17(14-18)20(3)24(22,23)19-6-4-5-16(2)13-19/h4-8,13,15,17-18H,9-12,14H2,1-3H3/t17-,18?/m1/s1.
What are the key properties of N,3-dimethyl-N-[(1S)-4-(4-methylpiperidin-1-yl)cyclopent-2-en-1-yl]benzenesulfonamide?
N,3-dimethyl-N-[(1S)-4-(4-methylpiperidin-1-yl)cyclopent-2-en-1-yl]benzenesulfonamide has a molecular weight of 348.51 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-[(1S)-4-(4-methylpiperidin-1-yl)cyclopent-2-en-1-yl]benzenesulfonamide is sourced from PubChem (CID 70035700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).