1-[4-(aminomethyl)phenyl]-N-(2,2-dimethyloxan-4-yl)methanesulfonamide

C15H24N2O3S — CID 83036036

IUPAC1-[4-(aminomethyl)phenyl]-N-(2,2-dimethyloxan-4-yl)methanesulfonamide
SMILESCC1(C)CC(NS(=O)(=O)Cc2ccc(CN)cc2)CCO1
InChIInChI=1S/C15H24N2O3S/c1-15(2)9-14(7-8-20-15)17-21(18,19)11-13-5-3-12(10-16)4-6-13/h3-6,14,17H,7-11,16H2,1-2H3
InChIKeyWFHAHFWPTJGKQI-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.52
Rot. Bonds5

About 1-[4-(aminomethyl)phenyl]-N-(2,2-dimethyloxan-4-yl)methanesulfonamide

1-[4-(aminomethyl)phenyl]-N-(2,2-dimethyloxan-4-yl)methanesulfonamide (PubChem CID 83036036) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 1-[4-(aminomethyl)phenyl]-N-(2,2-dimethyloxan-4-yl)methanesulfonamide.

Molecular Properties

Compound Name1-[4-(aminomethyl)phenyl]-N-(2,2-dimethyloxan-4-yl)methanesulfonamide
PubChem CID83036036
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name1-[4-(aminomethyl)phenyl]-N-(2,2-dimethyloxan-4-yl)methanesulfonamide
SMILESCC1(C)CC(NS(=O)(=O)Cc2ccc(CN)cc2)CCO1
InChIInChI=1S/C15H24N2O3S/c1-15(2)9-14(7-8-20-15)17-21(18,19)11-13-5-3-12(10-16)4-6-13/h3-6,14,17H,7-11,16H2,1-2H3
InChIKeyWFHAHFWPTJGKQI-UHFFFAOYSA-N
XLogP1.52
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 ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-aminophenyl)-N-(2,2-dimethyloxan-4-yl)methanesulfonamide
CID 83027734
4-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-2-methylbenzenesulfonamide
CID 106997091
1-[4-(aminomethyl)phenyl]-N-(4-methylcyclohexyl)methanesulfonamide
CID 29041609
4-amino-N-(2,2-dimethyloxan-4-yl)benzenesulfonamide
CID 83027811
N-(2,2-dimethyloxan-4-yl)-5-(methylaminomethyl)pyridine-2-sulfonamide
CID 106075164
4-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-1H-pyrazole-5-sulfonamide
CID 106075143
1-[3-(aminomethyl)phenyl]-3-(2,2-dimethyloxan-4-yl)urea
CID 83028430
4-amino-N-(2,2-dimethyloxan-4-yl)-3-methylbenzenesulfonamide
CID 83026925
N-(2,2-dimethyloxan-4-yl)-4-(ethylamino)benzenesulfonamide
CID 83035482
1-[3-(aminomethyl)phenyl]-N-cyclopropylmethanesulfonamide
CID 60978052
4-(cyclopropylamino)-N-(2,2-dimethyloxan-4-yl)butane-1-sulfonamide
CID 106075175
5-amino-N-(2,2-dimethyloxan-4-yl)-2,3-dimethylbenzenesulfonamide
CID 83034968

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)phenyl]-N-(2,2-dimethyloxan-4-yl)methanesulfonamide?
The IUPAC name of 1-[4-(aminomethyl)phenyl]-N-(2,2-dimethyloxan-4-yl)methanesulfonamide (CID 83036036) is 1-[4-(aminomethyl)phenyl]-N-(2,2-dimethyloxan-4-yl)methanesulfonamide.
What is the SMILES notation for 1-[4-(aminomethyl)phenyl]-N-(2,2-dimethyloxan-4-yl)methanesulfonamide?
The canonical SMILES for 1-[4-(aminomethyl)phenyl]-N-(2,2-dimethyloxan-4-yl)methanesulfonamide is CC1(C)CC(NS(=O)(=O)Cc2ccc(CN)cc2)CCO1.
What is the InChIKey of 1-[4-(aminomethyl)phenyl]-N-(2,2-dimethyloxan-4-yl)methanesulfonamide?
The InChIKey is WFHAHFWPTJGKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-15(2)9-14(7-8-20-15)17-21(18,19)11-13-5-3-12(10-16)4-6-13/h3-6,14,17H,7-11,16H2,1-2H3.
What are the key properties of 1-[4-(aminomethyl)phenyl]-N-(2,2-dimethyloxan-4-yl)methanesulfonamide?
1-[4-(aminomethyl)phenyl]-N-(2,2-dimethyloxan-4-yl)methanesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)phenyl]-N-(2,2-dimethyloxan-4-yl)methanesulfonamide is sourced from PubChem (CID 83036036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).