4-(aminomethyl)-N-(1,3-dimethylpiperidin-4-yl)-3-methylbenzenesulfonamide

C15H25N3O2S — CID 106919626

IUPAC4-(aminomethyl)-N-(1,3-dimethylpiperidin-4-yl)-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC2CCN(C)CC2C)ccc1CN
InChIInChI=1S/C15H25N3O2S/c1-11-8-14(5-4-13(11)9-16)21(19,20)17-15-6-7-18(3)10-12(15)2/h4-5,8,12,15,17H,6-7,9-10,16H2,1-3H3
InChIKeyWYHKQVWVYWKDJS-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.07
Rot. Bonds4

About 4-(aminomethyl)-N-(1,3-dimethylpiperidin-4-yl)-3-methylbenzenesulfonamide

4-(aminomethyl)-N-(1,3-dimethylpiperidin-4-yl)-3-methylbenzenesulfonamide (PubChem CID 106919626) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(1,3-dimethylpiperidin-4-yl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(1,3-dimethylpiperidin-4-yl)-3-methylbenzenesulfonamide
PubChem CID106919626
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name4-(aminomethyl)-N-(1,3-dimethylpiperidin-4-yl)-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC2CCN(C)CC2C)ccc1CN
InChIInChI=1S/C15H25N3O2S/c1-11-8-14(5-4-13(11)9-16)21(19,20)17-15-6-7-18(3)10-12(15)2/h4-5,8,12,15,17H,6-7,9-10,16H2,1-3H3
InChIKeyWYHKQVWVYWKDJS-UHFFFAOYSA-N
XLogP1.07
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,3-Dimethyl-N-((1R)-1-methyl-3-(4-methyl-1-piperidinyl)propyl)benzenesulfonamide
CID 5312148
1,2,3,4-Tetrahydroisoquinoline-7-sulfonamide
CID 5226
(3R)-3-(fluoromethyl)-N-(3,3,3-trifluoropropyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
CID 11349402
4-[1-(Methylamino)ethyl]benzene-1-sulfonamide
CID 4961836
3-(fluoromethyl)-N-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
CID 10019263
3-(Fluoromethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
CID 10399576
3-(fluoromethyl)-N-(3,3,3-trifluoropropyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
CID 11394776
3,4-Dimethyl-N-(2,2,6,6-tetramethyl-piperidin-4-yl)-benzenesulfonamide
CID 1085517
4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)benzenesulfonamide
CID 583321
N-benzyl-4-[3-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]benzenesulfonamide
CID 44523667
N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]benzenesulfonamide
CID 4794396
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]benzenesulfonamide
CID 23111951

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(1,3-dimethylpiperidin-4-yl)-3-methylbenzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(1,3-dimethylpiperidin-4-yl)-3-methylbenzenesulfonamide (CID 106919626) is 4-(aminomethyl)-N-(1,3-dimethylpiperidin-4-yl)-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(1,3-dimethylpiperidin-4-yl)-3-methylbenzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(1,3-dimethylpiperidin-4-yl)-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)NC2CCN(C)CC2C)ccc1CN.
What is the InChIKey of 4-(aminomethyl)-N-(1,3-dimethylpiperidin-4-yl)-3-methylbenzenesulfonamide?
The InChIKey is WYHKQVWVYWKDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-11-8-14(5-4-13(11)9-16)21(19,20)17-15-6-7-18(3)10-12(15)2/h4-5,8,12,15,17H,6-7,9-10,16H2,1-3H3.
What are the key properties of 4-(aminomethyl)-N-(1,3-dimethylpiperidin-4-yl)-3-methylbenzenesulfonamide?
4-(aminomethyl)-N-(1,3-dimethylpiperidin-4-yl)-3-methylbenzenesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(1,3-dimethylpiperidin-4-yl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 106919626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).