N,N-dimethyl-4-(4-piperidin-4-ylpiperidin-1-yl)benzenesulfonamide

C18H29N3O2S — CID 71081142

IUPACN,N-dimethyl-4-(4-piperidin-4-ylpiperidin-1-yl)benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(N2CCC(C3CCNCC3)CC2)cc1
InChIInChI=1S/C18H29N3O2S/c1-20(2)24(22,23)18-5-3-17(4-6-18)21-13-9-16(10-14-21)15-7-11-19-12-8-15/h3-6,15-16,19H,7-14H2,1-2H3
InChIKeyJGSQWHNFWDEQPP-UHFFFAOYSA-N
MW351.52 g/mol
LogP2.15
Rot. Bonds4

About N,N-dimethyl-4-(4-piperidin-4-ylpiperidin-1-yl)benzenesulfonamide

N,N-dimethyl-4-(4-piperidin-4-ylpiperidin-1-yl)benzenesulfonamide (PubChem CID 71081142) has the molecular formula C18H29N3O2S and a molecular weight of 351.52 g/mol. Its IUPAC name is N,N-dimethyl-4-(4-piperidin-4-ylpiperidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(4-piperidin-4-ylpiperidin-1-yl)benzenesulfonamide
PubChem CID71081142
Molecular FormulaC18H29N3O2S
Molecular Weight351.52 g/mol
Exact Mass351.20
IUPAC NameN,N-dimethyl-4-(4-piperidin-4-ylpiperidin-1-yl)benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(N2CCC(C3CCNCC3)CC2)cc1
InChIInChI=1S/C18H29N3O2S/c1-20(2)24(22,23)18-5-3-17(4-6-18)21-13-9-16(10-14-21)15-7-11-19-12-8-15/h3-6,15-16,19H,7-14H2,1-2H3
InChIKeyJGSQWHNFWDEQPP-UHFFFAOYSA-N
XLogP2.15
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.52
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(4-piperidin-4-ylpiperidin-1-yl)benzenesulfonamide?
The IUPAC name of N,N-dimethyl-4-(4-piperidin-4-ylpiperidin-1-yl)benzenesulfonamide (CID 71081142) is N,N-dimethyl-4-(4-piperidin-4-ylpiperidin-1-yl)benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-4-(4-piperidin-4-ylpiperidin-1-yl)benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-4-(4-piperidin-4-ylpiperidin-1-yl)benzenesulfonamide is CN(C)S(=O)(=O)c1ccc(N2CCC(C3CCNCC3)CC2)cc1.
What is the InChIKey of N,N-dimethyl-4-(4-piperidin-4-ylpiperidin-1-yl)benzenesulfonamide?
The InChIKey is JGSQWHNFWDEQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2S/c1-20(2)24(22,23)18-5-3-17(4-6-18)21-13-9-16(10-14-21)15-7-11-19-12-8-15/h3-6,15-16,19H,7-14H2,1-2H3.
What are the key properties of N,N-dimethyl-4-(4-piperidin-4-ylpiperidin-1-yl)benzenesulfonamide?
N,N-dimethyl-4-(4-piperidin-4-ylpiperidin-1-yl)benzenesulfonamide has a molecular weight of 351.52 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(4-piperidin-4-ylpiperidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 71081142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).