3-cyano-N-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide

C14H19N3O2S — CID 106630767

IUPAC3-cyano-N-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide
SMILESCN(CC1CCCNC1)S(=O)(=O)c1cccc(C#N)c1
InChIInChI=1S/C14H19N3O2S/c1-17(11-13-5-3-7-16-10-13)20(18,19)14-6-2-4-12(8-14)9-15/h2,4,6,8,13,16H,3,5,7,10-11H2,1H3
InChIKeyDTNXRKPYIJFBJA-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.18
Rot. Bonds4

About 3-cyano-N-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide

3-cyano-N-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide (PubChem CID 106630767) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 3-cyano-N-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide
PubChem CID106630767
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name3-cyano-N-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide
SMILESCN(CC1CCCNC1)S(=O)(=O)c1cccc(C#N)c1
InChIInChI=1S/C14H19N3O2S/c1-17(11-13-5-3-7-16-10-13)20(18,19)14-6-2-4-12(8-14)9-15/h2,4,6,8,13,16H,3,5,7,10-11H2,1H3
InChIKeyDTNXRKPYIJFBJA-UHFFFAOYSA-N
XLogP1.18
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyano-N-methyl-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 63708026
N-methyl-N-(piperidin-3-ylmethyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 106630837
4-bromo-N-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide
CID 106630836
N-(2-aminoethyl)-3-cyano-N-methylbenzenesulfonamide
CID 62685886
2,6-difluoro-N-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide
CID 106630731
3-cyano-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 61384532
3-cyano-N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzamide
CID 106628943
3-cyano-N-cyclopentyl-N-methylbenzenesulfonamide
CID 18121874
3-cyano-N-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 47306005
N-(azetidin-3-yl)-3-cyano-N-ethylbenzenesulfonamide
CID 66183415
N-methyl-N-(pyrrolidin-3-ylmethyl)pyridine-3-sulfonamide
CID 115272244
N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzenesulfonamide
CID 106630983

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-cyano-N-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide (CID 106630767) is 3-cyano-N-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-cyano-N-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-cyano-N-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide is CN(CC1CCCNC1)S(=O)(=O)c1cccc(C#N)c1.
What is the InChIKey of 3-cyano-N-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide?
The InChIKey is DTNXRKPYIJFBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-17(11-13-5-3-7-16-10-13)20(18,19)14-6-2-4-12(8-14)9-15/h2,4,6,8,13,16H,3,5,7,10-11H2,1H3.
What are the key properties of 3-cyano-N-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide?
3-cyano-N-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide has a molecular weight of 293.39 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 106630767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).