N-[2-methyl-4-(piperidin-2-ylmethylamino)phenyl]methanesulfonamide

C14H23N3O2S — CID 106633520

IUPACN-[2-methyl-4-(piperidin-2-ylmethylamino)phenyl]methanesulfonamide
SMILESCc1cc(NCC2CCCCN2)ccc1NS(C)(=O)=O
InChIInChI=1S/C14H23N3O2S/c1-11-9-12(6-7-14(11)17-20(2,18)19)16-10-13-5-3-4-8-15-13/h6-7,9,13,15-17H,3-5,8,10H2,1-2H3
InChIKeyVRBRQXXIZOLTCP-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.92
Rot. Bonds5

About N-[2-methyl-4-(piperidin-2-ylmethylamino)phenyl]methanesulfonamide

N-[2-methyl-4-(piperidin-2-ylmethylamino)phenyl]methanesulfonamide (PubChem CID 106633520) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-[2-methyl-4-(piperidin-2-ylmethylamino)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-methyl-4-(piperidin-2-ylmethylamino)phenyl]methanesulfonamide
PubChem CID106633520
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC NameN-[2-methyl-4-(piperidin-2-ylmethylamino)phenyl]methanesulfonamide
SMILESCc1cc(NCC2CCCCN2)ccc1NS(C)(=O)=O
InChIInChI=1S/C14H23N3O2S/c1-11-9-12(6-7-14(11)17-20(2,18)19)16-10-13-5-3-4-8-15-13/h6-7,9,13,15-17H,3-5,8,10H2,1-2H3
InChIKeyVRBRQXXIZOLTCP-UHFFFAOYSA-N
XLogP1.92
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-3-(piperidin-2-ylmethylamino)benzenesulfonamide
CID 106633277
N-[2-methyl-4-(prop-2-ynylamino)phenyl]methanesulfonamide
CID 63953895
N-[4-(butylamino)-2-methylphenyl]methanesulfonamide
CID 43741283
2-methyl-5-(piperidin-2-ylmethylamino)isoindole-1,3-dione
CID 106632832
4-(2-fluoropropan-2-yl)-N-(piperidin-2-ylmethyl)aniline
CID 115054169
N-[3-chloro-4-(methanesulfonamido)phenyl]piperidine-2-carboxamide
CID 43711061
2,5-dimethyl-4-(piperidin-2-ylmethylamino)phenol
CID 106953789
2-chloro-4-methyl-N-(piperidin-2-ylmethyl)aniline
CID 106633070
N-(4-bromo-3,5-dimethylphenyl)-1-piperidin-2-ylmethanesulfonamide
CID 107575648
3,4-dimethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 43120052
2-methyl-N-(piperidin-2-ylmethyl)-4-propan-2-yloxyaniline
CID 106633661
N-[3-(dimethylamino)-4-methylphenyl]-1-piperidin-2-ylmethanesulfonamide
CID 115378310

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-(piperidin-2-ylmethylamino)phenyl]methanesulfonamide?
The IUPAC name of N-[2-methyl-4-(piperidin-2-ylmethylamino)phenyl]methanesulfonamide (CID 106633520) is N-[2-methyl-4-(piperidin-2-ylmethylamino)phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-methyl-4-(piperidin-2-ylmethylamino)phenyl]methanesulfonamide?
The canonical SMILES for N-[2-methyl-4-(piperidin-2-ylmethylamino)phenyl]methanesulfonamide is Cc1cc(NCC2CCCCN2)ccc1NS(C)(=O)=O.
What is the InChIKey of N-[2-methyl-4-(piperidin-2-ylmethylamino)phenyl]methanesulfonamide?
The InChIKey is VRBRQXXIZOLTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-11-9-12(6-7-14(11)17-20(2,18)19)16-10-13-5-3-4-8-15-13/h6-7,9,13,15-17H,3-5,8,10H2,1-2H3.
What are the key properties of N-[2-methyl-4-(piperidin-2-ylmethylamino)phenyl]methanesulfonamide?
N-[2-methyl-4-(piperidin-2-ylmethylamino)phenyl]methanesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 1.92, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-(piperidin-2-ylmethylamino)phenyl]methanesulfonamide is sourced from PubChem (CID 106633520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).