4-(aminomethyl)-2-methoxy-N-[(1-methoxycyclobutyl)methyl]benzenesulfonamide

C14H22N2O4S — CID 106091011

IUPAC4-(aminomethyl)-2-methoxy-N-[(1-methoxycyclobutyl)methyl]benzenesulfonamide
SMILESCOc1cc(CN)ccc1S(=O)(=O)NCC1(OC)CCC1
InChIInChI=1S/C14H22N2O4S/c1-19-12-8-11(9-15)4-5-13(12)21(17,18)16-10-14(20-2)6-3-7-14/h4-5,8,16H,3,6-7,9-10,15H2,1-2H3
InChIKeyFNNSRUNSALRSOQ-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.00
Rot. Bonds7

About 4-(aminomethyl)-2-methoxy-N-[(1-methoxycyclobutyl)methyl]benzenesulfonamide

4-(aminomethyl)-2-methoxy-N-[(1-methoxycyclobutyl)methyl]benzenesulfonamide (PubChem CID 106091011) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is 4-(aminomethyl)-2-methoxy-N-[(1-methoxycyclobutyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-2-methoxy-N-[(1-methoxycyclobutyl)methyl]benzenesulfonamide
PubChem CID106091011
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name4-(aminomethyl)-2-methoxy-N-[(1-methoxycyclobutyl)methyl]benzenesulfonamide
SMILESCOc1cc(CN)ccc1S(=O)(=O)NCC1(OC)CCC1
InChIInChI=1S/C14H22N2O4S/c1-19-12-8-11(9-15)4-5-13(12)21(17,18)16-10-14(20-2)6-3-7-14/h4-5,8,16H,3,6-7,9-10,15H2,1-2H3
InChIKeyFNNSRUNSALRSOQ-UHFFFAOYSA-N
XLogP1.00
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-2-ethyl-N-[(1-methoxycyclobutyl)methyl]benzenesulfonamide
CID 106090964
4-(aminomethyl)-2-methoxy-N-(1-methylcyclopentyl)benzenesulfonamide
CID 102704641
2-fluoro-N-[(1-methoxycyclobutyl)methyl]-4-(methylaminomethyl)benzenesulfonamide
CID 106091008
4-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-2-methoxybenzenesulfonamide
CID 102704778
3-(aminomethyl)-N-[(1-methoxycyclobutyl)methyl]-4-methylbenzenesulfonamide
CID 106091014
4-(aminomethyl)-2-methoxy-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide
CID 106055671
2-chloro-5-(hydroxymethyl)-N-[(1-methoxycyclobutyl)methyl]benzenesulfonamide
CID 106001069
4-(aminomethyl)-2-methoxy-N-(3-methyloxolan-3-yl)benzenesulfonamide
CID 102704728
2-bromo-N-[(1-methoxycyclobutyl)methyl]-5-(methylaminomethyl)benzenesulfonamide
CID 106090990
4-(aminomethyl)-2-methoxy-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 106079744
4-(aminomethyl)-2-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide
CID 106433784
5-(aminomethyl)-2-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]benzenesulfonamide
CID 106080477

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-methoxy-N-[(1-methoxycyclobutyl)methyl]benzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-2-methoxy-N-[(1-methoxycyclobutyl)methyl]benzenesulfonamide (CID 106091011) is 4-(aminomethyl)-2-methoxy-N-[(1-methoxycyclobutyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-2-methoxy-N-[(1-methoxycyclobutyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-2-methoxy-N-[(1-methoxycyclobutyl)methyl]benzenesulfonamide is COc1cc(CN)ccc1S(=O)(=O)NCC1(OC)CCC1.
What is the InChIKey of 4-(aminomethyl)-2-methoxy-N-[(1-methoxycyclobutyl)methyl]benzenesulfonamide?
The InChIKey is FNNSRUNSALRSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-19-12-8-11(9-15)4-5-13(12)21(17,18)16-10-14(20-2)6-3-7-14/h4-5,8,16H,3,6-7,9-10,15H2,1-2H3.
What are the key properties of 4-(aminomethyl)-2-methoxy-N-[(1-methoxycyclobutyl)methyl]benzenesulfonamide?
4-(aminomethyl)-2-methoxy-N-[(1-methoxycyclobutyl)methyl]benzenesulfonamide has a molecular weight of 314.41 g/mol, XLogP of 1.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-methoxy-N-[(1-methoxycyclobutyl)methyl]benzenesulfonamide is sourced from PubChem (CID 106091011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).