3-(aminomethyl)-4-methoxy-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide

C15H24N2O3S — CID 106089862

IUPAC3-(aminomethyl)-4-methoxy-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC2CCC(C)C2)cc1CN
InChIInChI=1S/C15H24N2O3S/c1-11-3-4-12(7-11)10-17-21(18,19)14-5-6-15(20-2)13(8-14)9-16/h5-6,8,11-12,17H,3-4,7,9-10,16H2,1-2H3
InChIKeyVVHFJHLKEDCWBG-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.87
Rot. Bonds6

About 3-(aminomethyl)-4-methoxy-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide

3-(aminomethyl)-4-methoxy-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide (PubChem CID 106089862) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 3-(aminomethyl)-4-methoxy-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-4-methoxy-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
PubChem CID106089862
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name3-(aminomethyl)-4-methoxy-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC2CCC(C)C2)cc1CN
InChIInChI=1S/C15H24N2O3S/c1-11-3-4-12(7-11)10-17-21(18,19)14-5-6-15(20-2)13(8-14)9-16/h5-6,8,11-12,17H,3-4,7,9-10,16H2,1-2H3
InChIKeyVVHFJHLKEDCWBG-UHFFFAOYSA-N
XLogP1.87
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(cyclopropylmethyl)-3-methoxybenzenesulfonamide
CID 81438601
3-amino-4-methyl-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
CID 107411115
4-fluoro-3-(methylaminomethyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
CID 106089946
3-amino-4-hydroxy-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
CID 107411156
N-(cycloheptylmethyl)-3,4-dimethoxybenzenesulfonamide
CID 3739924
3-(aminomethyl)-4-methoxy-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 106076121
3-(aminomethyl)-N-(3,3-dimethylbutyl)-4-methoxybenzenesulfonamide
CID 106085442
6-amino-N-[(3-methylcyclopentyl)methyl]pyridine-3-sulfonamide
CID 107411147
4-(bromomethyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
CID 107414936
3-(aminomethyl)-N-[3-(dimethylamino)propyl]-4-methoxybenzenesulfonamide
CID 28718145
N-[(3-methylcyclopentyl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422504
3-(aminomethyl)-4-methoxy-N-(3-methoxy-2-methylpropyl)benzenesulfonamide
CID 106050652

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4-methoxy-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-4-methoxy-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide (CID 106089862) is 3-(aminomethyl)-4-methoxy-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-4-methoxy-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-4-methoxy-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCC2CCC(C)C2)cc1CN.
What is the InChIKey of 3-(aminomethyl)-4-methoxy-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide?
The InChIKey is VVHFJHLKEDCWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-11-3-4-12(7-11)10-17-21(18,19)14-5-6-15(20-2)13(8-14)9-16/h5-6,8,11-12,17H,3-4,7,9-10,16H2,1-2H3.
What are the key properties of 3-(aminomethyl)-4-methoxy-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide?
3-(aminomethyl)-4-methoxy-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4-methoxy-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide is sourced from PubChem (CID 106089862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).