N,2-dimethyl-N-[4-(4-methylpiperidin-1-yl)butan-2-yl]benzenesulfonamide

C18H30N2O2S — CID 67516363

IUPACN,2-dimethyl-N-[4-(4-methylpiperidin-1-yl)butan-2-yl]benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)N(C)C(C)CCN1CCC(C)CC1
InChIInChI=1S/C18H30N2O2S/c1-15-9-12-20(13-10-15)14-11-17(3)19(4)23(21,22)18-8-6-5-7-16(18)2/h5-8,15,17H,9-14H2,1-4H3
InChIKeyYPSQRZLIFMZJAW-UHFFFAOYSA-N
MW338.52 g/mol
LogP3.13
Rot. Bonds6

About N,2-dimethyl-N-[4-(4-methylpiperidin-1-yl)butan-2-yl]benzenesulfonamide

N,2-dimethyl-N-[4-(4-methylpiperidin-1-yl)butan-2-yl]benzenesulfonamide (PubChem CID 67516363) has the molecular formula C18H30N2O2S and a molecular weight of 338.52 g/mol. Its IUPAC name is N,2-dimethyl-N-[4-(4-methylpiperidin-1-yl)butan-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN,2-dimethyl-N-[4-(4-methylpiperidin-1-yl)butan-2-yl]benzenesulfonamide
PubChem CID67516363
Molecular FormulaC18H30N2O2S
Molecular Weight338.52 g/mol
Exact Mass338.20
IUPAC NameN,2-dimethyl-N-[4-(4-methylpiperidin-1-yl)butan-2-yl]benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)N(C)C(C)CCN1CCC(C)CC1
InChIInChI=1S/C18H30N2O2S/c1-15-9-12-20(13-10-15)14-11-17(3)19(4)23(21,22)18-8-6-5-7-16(18)2/h5-8,15,17H,9-14H2,1-4H3
InChIKeyYPSQRZLIFMZJAW-UHFFFAOYSA-N
XLogP3.13
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.52
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[4-(4-methylpiperidin-1-yl)butan-2-yl]benzenesulfonamide?
The IUPAC name of N,2-dimethyl-N-[4-(4-methylpiperidin-1-yl)butan-2-yl]benzenesulfonamide (CID 67516363) is N,2-dimethyl-N-[4-(4-methylpiperidin-1-yl)butan-2-yl]benzenesulfonamide.
What is the SMILES notation for N,2-dimethyl-N-[4-(4-methylpiperidin-1-yl)butan-2-yl]benzenesulfonamide?
The canonical SMILES for N,2-dimethyl-N-[4-(4-methylpiperidin-1-yl)butan-2-yl]benzenesulfonamide is Cc1ccccc1S(=O)(=O)N(C)C(C)CCN1CCC(C)CC1.
What is the InChIKey of N,2-dimethyl-N-[4-(4-methylpiperidin-1-yl)butan-2-yl]benzenesulfonamide?
The InChIKey is YPSQRZLIFMZJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2S/c1-15-9-12-20(13-10-15)14-11-17(3)19(4)23(21,22)18-8-6-5-7-16(18)2/h5-8,15,17H,9-14H2,1-4H3.
What are the key properties of N,2-dimethyl-N-[4-(4-methylpiperidin-1-yl)butan-2-yl]benzenesulfonamide?
N,2-dimethyl-N-[4-(4-methylpiperidin-1-yl)butan-2-yl]benzenesulfonamide has a molecular weight of 338.52 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[4-(4-methylpiperidin-1-yl)butan-2-yl]benzenesulfonamide is sourced from PubChem (CID 67516363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).