N-methyl-3-(piperidin-2-ylmethylamino)benzenesulfonamide

C13H21N3O2S — CID 106633277

IUPACN-methyl-3-(piperidin-2-ylmethylamino)benzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(NCC2CCCCN2)c1
InChIInChI=1S/C13H21N3O2S/c1-14-19(17,18)13-7-4-6-11(9-13)16-10-12-5-2-3-8-15-12/h4,6-7,9,12,14-16H,2-3,5,8,10H2,1H3
InChIKeyHMSGCBIEUJZMJZ-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.15
Rot. Bonds5

About N-methyl-3-(piperidin-2-ylmethylamino)benzenesulfonamide

N-methyl-3-(piperidin-2-ylmethylamino)benzenesulfonamide (PubChem CID 106633277) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-methyl-3-(piperidin-2-ylmethylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-3-(piperidin-2-ylmethylamino)benzenesulfonamide
PubChem CID106633277
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC NameN-methyl-3-(piperidin-2-ylmethylamino)benzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(NCC2CCCCN2)c1
InChIInChI=1S/C13H21N3O2S/c1-14-19(17,18)13-7-4-6-11(9-13)16-10-12-5-2-3-8-15-12/h4,6-7,9,12,14-16H,2-3,5,8,10H2,1H3
InChIKeyHMSGCBIEUJZMJZ-UHFFFAOYSA-N
XLogP1.15
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[3-(methylsulfamoyl)phenyl]piperidine-2-carboxamide
CID 103809348
N-methyl-3-[(2R)-piperidin-2-yl]benzenesulfonamide
CID 125467895
2-methoxy-N-[3-(piperidin-2-ylmethylamino)phenyl]acetamide
CID 106633351
3-methoxy-N-(pyrrolidin-2-ylmethyl)aniline
CID 75062155
3-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974293
3-(2-methylpropoxy)-N-(piperidin-2-ylmethyl)aniline
CID 106633639
N-[2-methyl-4-(piperidin-2-ylmethylamino)phenyl]methanesulfonamide
CID 106633520
methyl N-[3-(pyrrolidin-2-ylmethylamino)phenyl]carbamate
CID 106637935
N-methyl-3-(2-methylpropylamino)benzenesulfonamide
CID 43688509
N-methyl-3-(methylamino)benzenesulfonamide
CID 63089854
3-bromo-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 62540771
3,4-dimethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 43120052

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(piperidin-2-ylmethylamino)benzenesulfonamide?
The IUPAC name of N-methyl-3-(piperidin-2-ylmethylamino)benzenesulfonamide (CID 106633277) is N-methyl-3-(piperidin-2-ylmethylamino)benzenesulfonamide.
What is the SMILES notation for N-methyl-3-(piperidin-2-ylmethylamino)benzenesulfonamide?
The canonical SMILES for N-methyl-3-(piperidin-2-ylmethylamino)benzenesulfonamide is CNS(=O)(=O)c1cccc(NCC2CCCCN2)c1.
What is the InChIKey of N-methyl-3-(piperidin-2-ylmethylamino)benzenesulfonamide?
The InChIKey is HMSGCBIEUJZMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-14-19(17,18)13-7-4-6-11(9-13)16-10-12-5-2-3-8-15-12/h4,6-7,9,12,14-16H,2-3,5,8,10H2,1H3.
What are the key properties of N-methyl-3-(piperidin-2-ylmethylamino)benzenesulfonamide?
N-methyl-3-(piperidin-2-ylmethylamino)benzenesulfonamide has a molecular weight of 283.40 g/mol, XLogP of 1.15, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(piperidin-2-ylmethylamino)benzenesulfonamide is sourced from PubChem (CID 106633277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).