N,N-dimethyl-2-[(1-methyl-6-oxopiperidin-3-yl)amino]benzenesulfonamide

C14H21N3O3S — CID 64667593

IUPACN,N-dimethyl-2-[(1-methyl-6-oxopiperidin-3-yl)amino]benzenesulfonamide
SMILESCN1CC(Nc2ccccc2S(=O)(=O)N(C)C)CCC1=O
InChIInChI=1S/C14H21N3O3S/c1-16(2)21(19,20)13-7-5-4-6-12(13)15-11-8-9-14(18)17(3)10-11/h4-7,11,15H,8-10H2,1-3H3
InChIKeyNZGHNQSTZUZWFV-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.97
Rot. Bonds4

About N,N-dimethyl-2-[(1-methyl-6-oxopiperidin-3-yl)amino]benzenesulfonamide

N,N-dimethyl-2-[(1-methyl-6-oxopiperidin-3-yl)amino]benzenesulfonamide (PubChem CID 64667593) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is N,N-dimethyl-2-[(1-methyl-6-oxopiperidin-3-yl)amino]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[(1-methyl-6-oxopiperidin-3-yl)amino]benzenesulfonamide
PubChem CID64667593
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC NameN,N-dimethyl-2-[(1-methyl-6-oxopiperidin-3-yl)amino]benzenesulfonamide
SMILESCN1CC(Nc2ccccc2S(=O)(=O)N(C)C)CCC1=O
InChIInChI=1S/C14H21N3O3S/c1-16(2)21(19,20)13-7-5-4-6-12(13)15-11-8-9-14(18)17(3)10-11/h4-7,11,15H,8-10H2,1-3H3
InChIKeyNZGHNQSTZUZWFV-UHFFFAOYSA-N
XLogP0.97
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(1-methyl-6-oxopiperidin-3-yl)amino]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-2-[(1-methyl-6-oxopiperidin-3-yl)amino]benzenesulfonamide (CID 64667593) is N,N-dimethyl-2-[(1-methyl-6-oxopiperidin-3-yl)amino]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-2-[(1-methyl-6-oxopiperidin-3-yl)amino]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-2-[(1-methyl-6-oxopiperidin-3-yl)amino]benzenesulfonamide is CN1CC(Nc2ccccc2S(=O)(=O)N(C)C)CCC1=O.
What is the InChIKey of N,N-dimethyl-2-[(1-methyl-6-oxopiperidin-3-yl)amino]benzenesulfonamide?
The InChIKey is NZGHNQSTZUZWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-16(2)21(19,20)13-7-5-4-6-12(13)15-11-8-9-14(18)17(3)10-11/h4-7,11,15H,8-10H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[(1-methyl-6-oxopiperidin-3-yl)amino]benzenesulfonamide?
N,N-dimethyl-2-[(1-methyl-6-oxopiperidin-3-yl)amino]benzenesulfonamide has a molecular weight of 311.41 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(1-methyl-6-oxopiperidin-3-yl)amino]benzenesulfonamide is sourced from PubChem (CID 64667593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).