N-[3-(dimethylamino)-4-methylphenyl]-1-piperidin-2-ylmethanesulfonamide

C15H25N3O2S — CID 115378310

IUPACN-[3-(dimethylamino)-4-methylphenyl]-1-piperidin-2-ylmethanesulfonamide
SMILESCc1ccc(NS(=O)(=O)CC2CCCCN2)cc1N(C)C
InChIInChI=1S/C15H25N3O2S/c1-12-7-8-13(10-15(12)18(2)3)17-21(19,20)11-14-6-4-5-9-16-14/h7-8,10,14,16-17H,4-6,9,11H2,1-3H3
InChIKeyJVVXNBVHLVAIKB-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.94
Rot. Bonds5

About N-[3-(dimethylamino)-4-methylphenyl]-1-piperidin-2-ylmethanesulfonamide

N-[3-(dimethylamino)-4-methylphenyl]-1-piperidin-2-ylmethanesulfonamide (PubChem CID 115378310) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-[3-(dimethylamino)-4-methylphenyl]-1-piperidin-2-ylmethanesulfonamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-4-methylphenyl]-1-piperidin-2-ylmethanesulfonamide
PubChem CID115378310
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC NameN-[3-(dimethylamino)-4-methylphenyl]-1-piperidin-2-ylmethanesulfonamide
SMILESCc1ccc(NS(=O)(=O)CC2CCCCN2)cc1N(C)C
InChIInChI=1S/C15H25N3O2S/c1-12-7-8-13(10-15(12)18(2)3)17-21(19,20)11-14-6-4-5-9-16-14/h7-8,10,14,16-17H,4-6,9,11H2,1-3H3
InChIKeyJVVXNBVHLVAIKB-UHFFFAOYSA-N
XLogP1.94
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-3,5-dimethylphenyl)-1-piperidin-2-ylmethanesulfonamide
CID 107575648
N-phenyl-1-piperidin-2-ylmethanesulfonamide
CID 54974221
N-(1-benzothiophen-5-yl)-1-piperidin-2-ylmethanesulfonamide
CID 65450515
1-chloro-N-[3-(dimethylamino)-4-methylphenyl]methanesulfonamide
CID 115379001
N-(1,3-benzothiazol-6-yl)-1-piperidin-2-ylmethanesulfonamide
CID 107806362
1-(azetidin-2-yl)-N-(4-methylphenyl)methanesulfonamide
CID 115071249
N-(6-methyl-2-pyridinyl)-1-piperidin-2-ylmethanesulfonamide
CID 54973719
N-(3-methyl-1,2-oxazol-5-yl)-1-piperidin-2-ylmethanesulfonamide
CID 54973614
N-[3-(dimethylamino)-4-methylphenyl]-2-(ethylamino)ethanesulfonamide
CID 115378312
N-[2-methyl-4-(piperidin-2-ylmethylamino)phenyl]methanesulfonamide
CID 106633520
2-(dimethylamino)-1-methyl-4-(sulfamoylamino)benzene
CID 112573869
N-(2-hydroxyphenyl)-1-piperidin-2-ylmethanesulfonamide
CID 115071292

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-4-methylphenyl]-1-piperidin-2-ylmethanesulfonamide?
The IUPAC name of N-[3-(dimethylamino)-4-methylphenyl]-1-piperidin-2-ylmethanesulfonamide (CID 115378310) is N-[3-(dimethylamino)-4-methylphenyl]-1-piperidin-2-ylmethanesulfonamide.
What is the SMILES notation for N-[3-(dimethylamino)-4-methylphenyl]-1-piperidin-2-ylmethanesulfonamide?
The canonical SMILES for N-[3-(dimethylamino)-4-methylphenyl]-1-piperidin-2-ylmethanesulfonamide is Cc1ccc(NS(=O)(=O)CC2CCCCN2)cc1N(C)C.
What is the InChIKey of N-[3-(dimethylamino)-4-methylphenyl]-1-piperidin-2-ylmethanesulfonamide?
The InChIKey is JVVXNBVHLVAIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-12-7-8-13(10-15(12)18(2)3)17-21(19,20)11-14-6-4-5-9-16-14/h7-8,10,14,16-17H,4-6,9,11H2,1-3H3.
What are the key properties of N-[3-(dimethylamino)-4-methylphenyl]-1-piperidin-2-ylmethanesulfonamide?
N-[3-(dimethylamino)-4-methylphenyl]-1-piperidin-2-ylmethanesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-4-methylphenyl]-1-piperidin-2-ylmethanesulfonamide is sourced from PubChem (CID 115378310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).