5-(aminomethyl)-2,3-dimethyl-N-(2-methyloxan-4-yl)benzenesulfonamide

C15H24N2O3S — CID 106093981

IUPAC5-(aminomethyl)-2,3-dimethyl-N-(2-methyloxan-4-yl)benzenesulfonamide
SMILESCc1cc(CN)cc(S(=O)(=O)NC2CCOC(C)C2)c1C
InChIInChI=1S/C15H24N2O3S/c1-10-6-13(9-16)8-15(12(10)3)21(18,19)17-14-4-5-20-11(2)7-14/h6,8,11,14,17H,4-5,7,9,16H2,1-3H3
InChIKeyCXQOPTGCVHWCBD-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.61
Rot. Bonds4

About 5-(aminomethyl)-2,3-dimethyl-N-(2-methyloxan-4-yl)benzenesulfonamide

5-(aminomethyl)-2,3-dimethyl-N-(2-methyloxan-4-yl)benzenesulfonamide (PubChem CID 106093981) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 5-(aminomethyl)-2,3-dimethyl-N-(2-methyloxan-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2,3-dimethyl-N-(2-methyloxan-4-yl)benzenesulfonamide
PubChem CID106093981
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name5-(aminomethyl)-2,3-dimethyl-N-(2-methyloxan-4-yl)benzenesulfonamide
SMILESCc1cc(CN)cc(S(=O)(=O)NC2CCOC(C)C2)c1C
InChIInChI=1S/C15H24N2O3S/c1-10-6-13(9-16)8-15(12(10)3)21(18,19)17-14-4-5-20-11(2)7-14/h6,8,11,14,17H,4-5,7,9,16H2,1-3H3
InChIKeyCXQOPTGCVHWCBD-UHFFFAOYSA-N
XLogP1.61
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 ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-2-bromo-N-(2-methyloxan-4-yl)benzenesulfonamide
CID 106093875
5-(aminomethyl)-2,3-dimethyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 106025455
5-(aminomethyl)-3-fluoro-2-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 106072353
2-fluoro-5-(methylaminomethyl)-N-(2-methyloxan-4-yl)benzenesulfonamide
CID 106093867
5-(ethylaminomethyl)-2-methyl-N-(2-methyloxan-4-yl)thiophene-3-sulfonamide
CID 106094017
2-methyl-4-(sulfamoylamino)oxane
CID 103887477
4-methyl-5-(methylaminomethyl)-N-(2-methyloxan-4-yl)thiophene-2-sulfonamide
CID 106093906
5-(aminomethyl)-2-methyl-N-(3-methylcyclobutyl)benzenesulfonamide
CID 113467168
5-(aminomethyl)-2-bromo-3-methyl-N-(thian-4-yl)benzenesulfonamide
CID 106084552
N-(2-methyloxan-4-yl)-4-oxo-1H-pyridine-3-sulfonamide
CID 114109226
3-(methylaminomethyl)-N-(2-methyloxan-4-yl)benzenesulfonamide
CID 106093864
N-(2-methyloxan-4-yl)ethanesulfonamide
CID 103887605

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2,3-dimethyl-N-(2-methyloxan-4-yl)benzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-2,3-dimethyl-N-(2-methyloxan-4-yl)benzenesulfonamide (CID 106093981) is 5-(aminomethyl)-2,3-dimethyl-N-(2-methyloxan-4-yl)benzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2,3-dimethyl-N-(2-methyloxan-4-yl)benzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-2,3-dimethyl-N-(2-methyloxan-4-yl)benzenesulfonamide is Cc1cc(CN)cc(S(=O)(=O)NC2CCOC(C)C2)c1C.
What is the InChIKey of 5-(aminomethyl)-2,3-dimethyl-N-(2-methyloxan-4-yl)benzenesulfonamide?
The InChIKey is CXQOPTGCVHWCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-10-6-13(9-16)8-15(12(10)3)21(18,19)17-14-4-5-20-11(2)7-14/h6,8,11,14,17H,4-5,7,9,16H2,1-3H3.
What are the key properties of 5-(aminomethyl)-2,3-dimethyl-N-(2-methyloxan-4-yl)benzenesulfonamide?
5-(aminomethyl)-2,3-dimethyl-N-(2-methyloxan-4-yl)benzenesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2,3-dimethyl-N-(2-methyloxan-4-yl)benzenesulfonamide is sourced from PubChem (CID 106093981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).