N-[3-(4-tert-butylpiperidin-1-yl)cyclopentyl]-N,3-dimethylbenzenesulfonamide

C22H36N2O2S — CID 69419874

IUPACN-[3-(4-tert-butylpiperidin-1-yl)cyclopentyl]-N,3-dimethylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)N(C)C2CCC(N3CCC(C(C)(C)C)CC3)C2)c1
InChIInChI=1S/C22H36N2O2S/c1-17-7-6-8-21(15-17)27(25,26)23(5)19-9-10-20(16-19)24-13-11-18(12-14-24)22(2,3)4/h6-8,15,18-20H,9-14,16H2,1-5H3
InChIKeyLLRQPBGSDDSWFA-UHFFFAOYSA-N
MW392.61 g/mol
LogP4.29
Rot. Bonds4

About N-[3-(4-tert-butylpiperidin-1-yl)cyclopentyl]-N,3-dimethylbenzenesulfonamide

N-[3-(4-tert-butylpiperidin-1-yl)cyclopentyl]-N,3-dimethylbenzenesulfonamide (PubChem CID 69419874) has the molecular formula C22H36N2O2S and a molecular weight of 392.61 g/mol. Its IUPAC name is N-[3-(4-tert-butylpiperidin-1-yl)cyclopentyl]-N,3-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(4-tert-butylpiperidin-1-yl)cyclopentyl]-N,3-dimethylbenzenesulfonamide
PubChem CID69419874
Molecular FormulaC22H36N2O2S
Molecular Weight392.61 g/mol
Exact Mass392.25
IUPAC NameN-[3-(4-tert-butylpiperidin-1-yl)cyclopentyl]-N,3-dimethylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)N(C)C2CCC(N3CCC(C(C)(C)C)CC3)C2)c1
InChIInChI=1S/C22H36N2O2S/c1-17-7-6-8-21(15-17)27(25,26)23(5)19-9-10-20(16-19)24-13-11-18(12-14-24)22(2,3)4/h6-8,15,18-20H,9-14,16H2,1-5H3
InChIKeyLLRQPBGSDDSWFA-UHFFFAOYSA-N
XLogP4.29
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.61
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-tert-butylpiperidin-1-yl)cyclopentyl]-N,3-dimethylbenzenesulfonamide?
The IUPAC name of N-[3-(4-tert-butylpiperidin-1-yl)cyclopentyl]-N,3-dimethylbenzenesulfonamide (CID 69419874) is N-[3-(4-tert-butylpiperidin-1-yl)cyclopentyl]-N,3-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[3-(4-tert-butylpiperidin-1-yl)cyclopentyl]-N,3-dimethylbenzenesulfonamide?
The canonical SMILES for N-[3-(4-tert-butylpiperidin-1-yl)cyclopentyl]-N,3-dimethylbenzenesulfonamide is Cc1cccc(S(=O)(=O)N(C)C2CCC(N3CCC(C(C)(C)C)CC3)C2)c1.
What is the InChIKey of N-[3-(4-tert-butylpiperidin-1-yl)cyclopentyl]-N,3-dimethylbenzenesulfonamide?
The InChIKey is LLRQPBGSDDSWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2O2S/c1-17-7-6-8-21(15-17)27(25,26)23(5)19-9-10-20(16-19)24-13-11-18(12-14-24)22(2,3)4/h6-8,15,18-20H,9-14,16H2,1-5H3.
What are the key properties of N-[3-(4-tert-butylpiperidin-1-yl)cyclopentyl]-N,3-dimethylbenzenesulfonamide?
N-[3-(4-tert-butylpiperidin-1-yl)cyclopentyl]-N,3-dimethylbenzenesulfonamide has a molecular weight of 392.61 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-tert-butylpiperidin-1-yl)cyclopentyl]-N,3-dimethylbenzenesulfonamide is sourced from PubChem (CID 69419874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).