N-[(1-methoxycyclobutyl)methyl]-4-[2-(methylamino)ethyl]benzenesulfonamide

C15H24N2O3S — CID 106091027

IUPACN-[(1-methoxycyclobutyl)methyl]-4-[2-(methylamino)ethyl]benzenesulfonamide
SMILESCNCCc1ccc(S(=O)(=O)NCC2(OC)CCC2)cc1
InChIInChI=1S/C15H24N2O3S/c1-16-11-8-13-4-6-14(7-5-13)21(18,19)17-12-15(20-2)9-3-10-15/h4-7,16-17H,3,8-12H2,1-2H3
InChIKeyUPEMPFUVZJFPEX-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.30
Rot. Bonds8

About N-[(1-methoxycyclobutyl)methyl]-4-[2-(methylamino)ethyl]benzenesulfonamide

N-[(1-methoxycyclobutyl)methyl]-4-[2-(methylamino)ethyl]benzenesulfonamide (PubChem CID 106091027) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-[(1-methoxycyclobutyl)methyl]-4-[2-(methylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(1-methoxycyclobutyl)methyl]-4-[2-(methylamino)ethyl]benzenesulfonamide
PubChem CID106091027
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-[(1-methoxycyclobutyl)methyl]-4-[2-(methylamino)ethyl]benzenesulfonamide
SMILESCNCCc1ccc(S(=O)(=O)NCC2(OC)CCC2)cc1
InChIInChI=1S/C15H24N2O3S/c1-16-11-8-13-4-6-14(7-5-13)21(18,19)17-12-15(20-2)9-3-10-15/h4-7,16-17H,3,8-12H2,1-2H3
InChIKeyUPEMPFUVZJFPEX-UHFFFAOYSA-N
XLogP1.30
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.30
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
4-cyano-N-[(1-methoxycyclobutyl)methyl]benzenesulfonamide
CID 103990185
3-(aminomethyl)-N-[(1-methoxycyclobutyl)methyl]-4-methylbenzenesulfonamide
CID 106091014
2-fluoro-N-[(1-methoxycyclobutyl)methyl]-4-(methylaminomethyl)benzenesulfonamide
CID 106091008
2-bromo-N-[(1-methoxycyclobutyl)methyl]-5-(methylaminomethyl)benzenesulfonamide
CID 106090990
N-(5-methoxypentyl)-4-[2-(methylamino)ethyl]benzenesulfonamide
CID 106092787
3-chloro-4-(hydroxymethyl)-N-[(1-methoxycyclobutyl)methyl]benzenesulfonamide
CID 106001077
4-(aminomethyl)-2-methoxy-N-[(1-methoxycyclobutyl)methyl]benzenesulfonamide
CID 106091011
4-(2-chloroethyl)-N-[(1-methylcyclobutyl)methyl]benzenesulfonamide
CID 103737625
2-chloro-5-(hydroxymethyl)-N-[(1-methoxycyclobutyl)methyl]benzenesulfonamide
CID 106001069
5-(aminomethyl)-2-ethyl-N-[(1-methoxycyclobutyl)methyl]benzenesulfonamide
CID 106090964
5-cyano-N-[(1-methoxycyclobutyl)methyl]-2-methylbenzenesulfonamide
CID 103990150

Frequently Asked Questions

What is the IUPAC name of N-[(1-methoxycyclobutyl)methyl]-4-[2-(methylamino)ethyl]benzenesulfonamide?
The IUPAC name of N-[(1-methoxycyclobutyl)methyl]-4-[2-(methylamino)ethyl]benzenesulfonamide (CID 106091027) is N-[(1-methoxycyclobutyl)methyl]-4-[2-(methylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for N-[(1-methoxycyclobutyl)methyl]-4-[2-(methylamino)ethyl]benzenesulfonamide?
The canonical SMILES for N-[(1-methoxycyclobutyl)methyl]-4-[2-(methylamino)ethyl]benzenesulfonamide is CNCCc1ccc(S(=O)(=O)NCC2(OC)CCC2)cc1.
What is the InChIKey of N-[(1-methoxycyclobutyl)methyl]-4-[2-(methylamino)ethyl]benzenesulfonamide?
The InChIKey is UPEMPFUVZJFPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-16-11-8-13-4-6-14(7-5-13)21(18,19)17-12-15(20-2)9-3-10-15/h4-7,16-17H,3,8-12H2,1-2H3.
What are the key properties of N-[(1-methoxycyclobutyl)methyl]-4-[2-(methylamino)ethyl]benzenesulfonamide?
N-[(1-methoxycyclobutyl)methyl]-4-[2-(methylamino)ethyl]benzenesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 1.30, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methoxycyclobutyl)methyl]-4-[2-(methylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 106091027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).