5-(aminomethyl)-2-methoxy-N-(oxan-4-ylmethyl)benzenesulfonamide

C14H22N2O4S — CID 106062917

IUPAC5-(aminomethyl)-2-methoxy-N-(oxan-4-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(CN)cc1S(=O)(=O)NCC1CCOCC1
InChIInChI=1S/C14H22N2O4S/c1-19-13-3-2-12(9-15)8-14(13)21(17,18)16-10-11-4-6-20-7-5-11/h2-3,8,11,16H,4-7,9-10,15H2,1H3
InChIKeyRQGHLONKVJIMCV-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.86
Rot. Bonds6

About 5-(aminomethyl)-2-methoxy-N-(oxan-4-ylmethyl)benzenesulfonamide

5-(aminomethyl)-2-methoxy-N-(oxan-4-ylmethyl)benzenesulfonamide (PubChem CID 106062917) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is 5-(aminomethyl)-2-methoxy-N-(oxan-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2-methoxy-N-(oxan-4-ylmethyl)benzenesulfonamide
PubChem CID106062917
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name5-(aminomethyl)-2-methoxy-N-(oxan-4-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(CN)cc1S(=O)(=O)NCC1CCOCC1
InChIInChI=1S/C14H22N2O4S/c1-19-13-3-2-12(9-15)8-14(13)21(17,18)16-10-11-4-6-20-7-5-11/h2-3,8,11,16H,4-7,9-10,15H2,1H3
InChIKeyRQGHLONKVJIMCV-UHFFFAOYSA-N
XLogP0.86
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-N-[(4-chlorophenyl)methyl]-2-methoxybenzenesulfonamide
CID 141351209
5-(hydroxymethyl)-2-methoxy-N-[2-(oxolan-3-yl)ethyl]benzenesulfonamide
CID 106002086
5-(aminomethyl)-N-cyclohexyl-2-methoxybenzenesulfonamide
CID 28717716
4-methoxy-3-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 110736435
5-(aminomethyl)-N-(2-cyclopropylpropan-2-yl)-2-methoxybenzenesulfonamide
CID 106091059
1-[4-(aminomethyl)phenyl]-N-(oxan-4-ylmethyl)methanesulfonamide
CID 63713652
5-(aminomethyl)-2-methoxy-N-(thian-4-yl)benzenesulfonamide
CID 106084299
4-methoxy-2-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 110736436
2-fluoro-5-(methylaminomethyl)-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 106062919
N-(cyclohexylmethyl)-2-methoxy-5-methylbenzenesulfonamide
CID 142023630
5-(aminomethyl)-2-bromo-N-[(4-methylcyclohexyl)methyl]benzenesulfonamide
CID 106062370
N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N-methyl-1-(oxan-4-yl)methanamine
CID 63726480

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-methoxy-N-(oxan-4-ylmethyl)benzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-2-methoxy-N-(oxan-4-ylmethyl)benzenesulfonamide (CID 106062917) is 5-(aminomethyl)-2-methoxy-N-(oxan-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2-methoxy-N-(oxan-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-2-methoxy-N-(oxan-4-ylmethyl)benzenesulfonamide is COc1ccc(CN)cc1S(=O)(=O)NCC1CCOCC1.
What is the InChIKey of 5-(aminomethyl)-2-methoxy-N-(oxan-4-ylmethyl)benzenesulfonamide?
The InChIKey is RQGHLONKVJIMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-19-13-3-2-12(9-15)8-14(13)21(17,18)16-10-11-4-6-20-7-5-11/h2-3,8,11,16H,4-7,9-10,15H2,1H3.
What are the key properties of 5-(aminomethyl)-2-methoxy-N-(oxan-4-ylmethyl)benzenesulfonamide?
5-(aminomethyl)-2-methoxy-N-(oxan-4-ylmethyl)benzenesulfonamide has a molecular weight of 314.41 g/mol, XLogP of 0.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-methoxy-N-(oxan-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 106062917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).