2-methyl-5-(methylaminomethyl)-N-[(1-methylsulfanylcyclobutyl)methyl]benzenesulfonamide

C15H24N2O2S2 — CID 106090607

IUPAC2-methyl-5-(methylaminomethyl)-N-[(1-methylsulfanylcyclobutyl)methyl]benzenesulfonamide
SMILESCNCc1ccc(C)c(S(=O)(=O)NCC2(SC)CCC2)c1
InChIInChI=1S/C15H24N2O2S2/c1-12-5-6-13(10-16-2)9-14(12)21(18,19)17-11-15(20-3)7-4-8-15/h5-6,9,16-17H,4,7-8,10-11H2,1-3H3
InChIKeyBEJSVJUNBCSKIS-UHFFFAOYSA-N
MW328.50 g/mol
LogP2.28
Rot. Bonds7

About 2-methyl-5-(methylaminomethyl)-N-[(1-methylsulfanylcyclobutyl)methyl]benzenesulfonamide

2-methyl-5-(methylaminomethyl)-N-[(1-methylsulfanylcyclobutyl)methyl]benzenesulfonamide (PubChem CID 106090607) has the molecular formula C15H24N2O2S2 and a molecular weight of 328.50 g/mol. Its IUPAC name is 2-methyl-5-(methylaminomethyl)-N-[(1-methylsulfanylcyclobutyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-5-(methylaminomethyl)-N-[(1-methylsulfanylcyclobutyl)methyl]benzenesulfonamide
PubChem CID106090607
Molecular FormulaC15H24N2O2S2
Molecular Weight328.50 g/mol
Exact Mass328.13
IUPAC Name2-methyl-5-(methylaminomethyl)-N-[(1-methylsulfanylcyclobutyl)methyl]benzenesulfonamide
SMILESCNCc1ccc(C)c(S(=O)(=O)NCC2(SC)CCC2)c1
InChIInChI=1S/C15H24N2O2S2/c1-12-5-6-13(10-16-2)9-14(12)21(18,19)17-11-15(20-3)7-4-8-15/h5-6,9,16-17H,4,7-8,10-11H2,1-3H3
InChIKeyBEJSVJUNBCSKIS-UHFFFAOYSA-N
XLogP2.28
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(methylamino)ethyl]-N-[(1-methylsulfanylcyclobutyl)methyl]benzenesulfonamide
CID 106090703
2-(methylaminomethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]benzenesulfonamide
CID 106093329
5-(aminomethyl)-2,4-dimethyl-N-[(1-methylsulfanylcyclobutyl)methyl]benzenesulfonamide
CID 106090652
4-(aminomethyl)-2-bromo-N-[(1-methylsulfanylcyclobutyl)methyl]benzenesulfonamide
CID 106090585
5-(methylaminomethyl)-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-3-sulfonamide
CID 106090614
5-(aminomethyl)-3-fluoro-2-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]benzenesulfonamide
CID 106090613
2-bromo-N-[(1-methoxycyclobutyl)methyl]-5-(methylaminomethyl)benzenesulfonamide
CID 106090990
N-[4-(dimethylamino)butyl]-2-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 106051733
5-chloro-2-methyl-3-(methylaminomethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]benzenesulfonamide
CID 106093222
1-methyl-5-(methylaminomethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]pyrrole-3-sulfonamide
CID 106090538
2,4-dichloro-5-(methylaminomethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]benzenesulfonamide
CID 106093164
N-(5-methoxypentyl)-2-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 106092695

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(methylaminomethyl)-N-[(1-methylsulfanylcyclobutyl)methyl]benzenesulfonamide?
The IUPAC name of 2-methyl-5-(methylaminomethyl)-N-[(1-methylsulfanylcyclobutyl)methyl]benzenesulfonamide (CID 106090607) is 2-methyl-5-(methylaminomethyl)-N-[(1-methylsulfanylcyclobutyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-methyl-5-(methylaminomethyl)-N-[(1-methylsulfanylcyclobutyl)methyl]benzenesulfonamide?
The canonical SMILES for 2-methyl-5-(methylaminomethyl)-N-[(1-methylsulfanylcyclobutyl)methyl]benzenesulfonamide is CNCc1ccc(C)c(S(=O)(=O)NCC2(SC)CCC2)c1.
What is the InChIKey of 2-methyl-5-(methylaminomethyl)-N-[(1-methylsulfanylcyclobutyl)methyl]benzenesulfonamide?
The InChIKey is BEJSVJUNBCSKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S2/c1-12-5-6-13(10-16-2)9-14(12)21(18,19)17-11-15(20-3)7-4-8-15/h5-6,9,16-17H,4,7-8,10-11H2,1-3H3.
What are the key properties of 2-methyl-5-(methylaminomethyl)-N-[(1-methylsulfanylcyclobutyl)methyl]benzenesulfonamide?
2-methyl-5-(methylaminomethyl)-N-[(1-methylsulfanylcyclobutyl)methyl]benzenesulfonamide has a molecular weight of 328.50 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(methylaminomethyl)-N-[(1-methylsulfanylcyclobutyl)methyl]benzenesulfonamide is sourced from PubChem (CID 106090607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).