4-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-2-methylbenzenesulfonamide

C15H24N2O3S — CID 106997091

IUPAC4-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-2-methylbenzenesulfonamide
SMILESCc1cc(CN)ccc1S(=O)(=O)NC1CCOC(C)(C)C1
InChIInChI=1S/C15H24N2O3S/c1-11-8-12(10-16)4-5-14(11)21(18,19)17-13-6-7-20-15(2,3)9-13/h4-5,8,13,17H,6-7,9-10,16H2,1-3H3
InChIKeyLVDYKRVSSIGJOW-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.69
Rot. Bonds4

About 4-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-2-methylbenzenesulfonamide

4-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-2-methylbenzenesulfonamide (PubChem CID 106997091) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-2-methylbenzenesulfonamide
PubChem CID106997091
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name4-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-2-methylbenzenesulfonamide
SMILESCc1cc(CN)ccc1S(=O)(=O)NC1CCOC(C)(C)C1
InChIInChI=1S/C15H24N2O3S/c1-11-8-12(10-16)4-5-14(11)21(18,19)17-13-6-7-20-15(2,3)9-13/h4-5,8,13,17H,6-7,9-10,16H2,1-3H3
InChIKeyLVDYKRVSSIGJOW-UHFFFAOYSA-N
XLogP1.69
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-(2,2-dimethyloxan-4-yl)-2,3-dimethylbenzenesulfonamide
CID 83034968
1-[4-(aminomethyl)phenyl]-N-(2,2-dimethyloxan-4-yl)methanesulfonamide
CID 83036036
4-amino-N-(2,2-dimethyloxan-4-yl)-3-methylbenzenesulfonamide
CID 83026925
5-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-2-methylbenzenesulfonamide
CID 114545529
2-bromo-N-(2,2-dimethyloxan-4-yl)-4-fluorobenzenesulfonamide
CID 115563559
N-(2,2-dimethyloxan-4-yl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 115563568
5-amino-N-(2,2-dimethyloxan-4-yl)-2,4-difluorobenzenesulfonamide
CID 83034972
4-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-2,5-dimethylfuran-3-sulfonamide
CID 106075114
4-amino-N-(2,2-dimethyloxan-4-yl)benzenesulfonamide
CID 83027811
N-(2,2-dimethyloxan-4-yl)-4-(ethylamino)benzenesulfonamide
CID 83035482
N-(2,2-dimethyloxan-4-yl)-2-(methylamino)benzenesulfonamide
CID 83040379
4-(aminomethyl)-2-methyl-N-(1-methylcyclopropyl)benzenesulfonamide
CID 106997142

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-2-methylbenzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-2-methylbenzenesulfonamide (CID 106997091) is 4-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-2-methylbenzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-2-methylbenzenesulfonamide is Cc1cc(CN)ccc1S(=O)(=O)NC1CCOC(C)(C)C1.
What is the InChIKey of 4-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-2-methylbenzenesulfonamide?
The InChIKey is LVDYKRVSSIGJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-11-8-12(10-16)4-5-14(11)21(18,19)17-13-6-7-20-15(2,3)9-13/h4-5,8,13,17H,6-7,9-10,16H2,1-3H3.
What are the key properties of 4-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-2-methylbenzenesulfonamide?
4-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-2-methylbenzenesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 106997091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).