N,N-dimethyl-4-[1-[(1-methylpiperidin-4-yl)amino]ethyl]benzenesulfonamide

C16H27N3O2S — CID 119145608

IUPACN,N-dimethyl-4-[1-[(1-methylpiperidin-4-yl)amino]ethyl]benzenesulfonamide
SMILESCC(NC1CCN(C)CC1)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C16H27N3O2S/c1-13(17-15-9-11-19(4)12-10-15)14-5-7-16(8-6-14)22(20,21)18(2)3/h5-8,13,15,17H,9-12H2,1-4H3
InChIKeyAJEHRLINEJCRGP-UHFFFAOYSA-N
MW325.48 g/mol
LogP1.68
Rot. Bonds5

About N,N-dimethyl-4-[1-[(1-methylpiperidin-4-yl)amino]ethyl]benzenesulfonamide

N,N-dimethyl-4-[1-[(1-methylpiperidin-4-yl)amino]ethyl]benzenesulfonamide (PubChem CID 119145608) has the molecular formula C16H27N3O2S and a molecular weight of 325.48 g/mol. Its IUPAC name is N,N-dimethyl-4-[1-[(1-methylpiperidin-4-yl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[1-[(1-methylpiperidin-4-yl)amino]ethyl]benzenesulfonamide
PubChem CID119145608
Molecular FormulaC16H27N3O2S
Molecular Weight325.48 g/mol
Exact Mass325.18
IUPAC NameN,N-dimethyl-4-[1-[(1-methylpiperidin-4-yl)amino]ethyl]benzenesulfonamide
SMILESCC(NC1CCN(C)CC1)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C16H27N3O2S/c1-13(17-15-9-11-19(4)12-10-15)14-5-7-16(8-6-14)22(20,21)18(2)3/h5-8,13,15,17H,9-12H2,1-4H3
InChIKeyAJEHRLINEJCRGP-UHFFFAOYSA-N
XLogP1.68
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 51.68
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-[1-[(1-methylpiperidin-4-yl)amino]ethyl]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-4-[1-[(1-methylpiperidin-4-yl)amino]ethyl]benzenesulfonamide (CID 119145608) is N,N-dimethyl-4-[1-[(1-methylpiperidin-4-yl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-4-[1-[(1-methylpiperidin-4-yl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-4-[1-[(1-methylpiperidin-4-yl)amino]ethyl]benzenesulfonamide is CC(NC1CCN(C)CC1)c1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of N,N-dimethyl-4-[1-[(1-methylpiperidin-4-yl)amino]ethyl]benzenesulfonamide?
The InChIKey is AJEHRLINEJCRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2S/c1-13(17-15-9-11-19(4)12-10-15)14-5-7-16(8-6-14)22(20,21)18(2)3/h5-8,13,15,17H,9-12H2,1-4H3.
What are the key properties of N,N-dimethyl-4-[1-[(1-methylpiperidin-4-yl)amino]ethyl]benzenesulfonamide?
N,N-dimethyl-4-[1-[(1-methylpiperidin-4-yl)amino]ethyl]benzenesulfonamide has a molecular weight of 325.48 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[1-[(1-methylpiperidin-4-yl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 119145608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).