4-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-2-methoxybenzenesulfonamide

C15H24N2O3S — CID 102704778

IUPAC4-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-2-methoxybenzenesulfonamide
SMILESCOc1cc(CN)ccc1S(=O)(=O)NC1CCC(C)(C)C1
InChIInChI=1S/C15H24N2O3S/c1-15(2)7-6-12(9-15)17-21(18,19)14-5-4-11(10-16)8-13(14)20-3/h4-5,8,12,17H,6-7,9-10,16H2,1-3H3
InChIKeyDYDBAWMANFKAQW-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.01
Rot. Bonds5

About 4-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-2-methoxybenzenesulfonamide

4-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-2-methoxybenzenesulfonamide (PubChem CID 102704778) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-2-methoxybenzenesulfonamide
PubChem CID102704778
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name4-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-2-methoxybenzenesulfonamide
SMILESCOc1cc(CN)ccc1S(=O)(=O)NC1CCC(C)(C)C1
InChIInChI=1S/C15H24N2O3S/c1-15(2)7-6-12(9-15)17-21(18,19)14-5-4-11(10-16)8-13(14)20-3/h4-5,8,12,17H,6-7,9-10,16H2,1-3H3
InChIKeyDYDBAWMANFKAQW-UHFFFAOYSA-N
XLogP2.01
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-2-methylbenzenesulfonamide
CID 114545529
5-amino-N-(3,3-dimethylcyclopentyl)-2-methoxy-4-methylbenzenesulfonamide
CID 114542964
4-(aminomethyl)-2-methoxy-N-(1-methylcyclopentyl)benzenesulfonamide
CID 102704641
2-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-5-fluorobenzenesulfonamide
CID 102921092
N-cyclopropyl-4-(hydroxymethyl)-2-methoxybenzenesulfonamide
CID 102703982
5-(aminomethyl)-N-cyclohexyl-2-methoxybenzenesulfonamide
CID 28717716
4-(aminomethyl)-2-methoxy-N-[(1-methoxycyclobutyl)methyl]benzenesulfonamide
CID 106091011
4-(aminomethyl)-2-methoxy-N-(3-methyloxolan-3-yl)benzenesulfonamide
CID 102704728
5-(aminomethyl)-2-methoxy-N-(thian-4-yl)benzenesulfonamide
CID 106084299
4-(aminomethyl)-N-cyclopropyl-2-fluorobenzenesulfonamide
CID 79190542
4-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-2-methylbenzenesulfonamide
CID 106997091
4-(aminomethyl)-2-methoxy-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 106031507

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-2-methoxybenzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-2-methoxybenzenesulfonamide (CID 102704778) is 4-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-2-methoxybenzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-2-methoxybenzenesulfonamide is COc1cc(CN)ccc1S(=O)(=O)NC1CCC(C)(C)C1.
What is the InChIKey of 4-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-2-methoxybenzenesulfonamide?
The InChIKey is DYDBAWMANFKAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-15(2)7-6-12(9-15)17-21(18,19)14-5-4-11(10-16)8-13(14)20-3/h4-5,8,12,17H,6-7,9-10,16H2,1-3H3.
What are the key properties of 4-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-2-methoxybenzenesulfonamide?
4-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-2-methoxybenzenesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 102704778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).