1-[2-(aminomethyl)phenyl]-N-(5-methylhexan-2-yl)methanesulfonamide

C15H26N2O2S — CID 43579028

IUPAC1-[2-(aminomethyl)phenyl]-N-(5-methylhexan-2-yl)methanesulfonamide
SMILESCC(C)CCC(C)NS(=O)(=O)Cc1ccccc1CN
InChIInChI=1S/C15H26N2O2S/c1-12(2)8-9-13(3)17-20(18,19)11-15-7-5-4-6-14(15)10-16/h4-7,12-13,17H,8-11,16H2,1-3H3
InChIKeyCTEQHACMUKSNNZ-UHFFFAOYSA-N
MW298.45 g/mol
LogP2.39
Rot. Bonds8

About 1-[2-(aminomethyl)phenyl]-N-(5-methylhexan-2-yl)methanesulfonamide

1-[2-(aminomethyl)phenyl]-N-(5-methylhexan-2-yl)methanesulfonamide (PubChem CID 43579028) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is 1-[2-(aminomethyl)phenyl]-N-(5-methylhexan-2-yl)methanesulfonamide.

Molecular Properties

Compound Name1-[2-(aminomethyl)phenyl]-N-(5-methylhexan-2-yl)methanesulfonamide
PubChem CID43579028
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC Name1-[2-(aminomethyl)phenyl]-N-(5-methylhexan-2-yl)methanesulfonamide
SMILESCC(C)CCC(C)NS(=O)(=O)Cc1ccccc1CN
InChIInChI=1S/C15H26N2O2S/c1-12(2)8-9-13(3)17-20(18,19)11-15-7-5-4-6-14(15)10-16/h4-7,12-13,17H,8-11,16H2,1-3H3
InChIKeyCTEQHACMUKSNNZ-UHFFFAOYSA-N
XLogP2.39
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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1-[2-(aminomethyl)phenyl]-N-(3-ethylpentan-3-yl)methanesulfonamide
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2-[[2-(aminomethyl)phenyl]methylsulfonylamino]-N-methylethanesulfonamide
CID 106335853
1-(2-aminophenyl)-N-(1-phenylpropan-2-yl)methanesulfonamide
CID 63010726
1-(4-chlorophenyl)-N-[(2R)-4-phenylbutan-2-yl]methanesulfonamide
CID 2228868
3-(aminomethyl)-N-(5-methylhexan-2-yl)benzenesulfonamide
CID 43579029
1-(2-aminophenyl)-N-(1-methylsulfinylpropan-2-yl)methanesulfonamide
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Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)phenyl]-N-(5-methylhexan-2-yl)methanesulfonamide?
The IUPAC name of 1-[2-(aminomethyl)phenyl]-N-(5-methylhexan-2-yl)methanesulfonamide (CID 43579028) is 1-[2-(aminomethyl)phenyl]-N-(5-methylhexan-2-yl)methanesulfonamide.
What is the SMILES notation for 1-[2-(aminomethyl)phenyl]-N-(5-methylhexan-2-yl)methanesulfonamide?
The canonical SMILES for 1-[2-(aminomethyl)phenyl]-N-(5-methylhexan-2-yl)methanesulfonamide is CC(C)CCC(C)NS(=O)(=O)Cc1ccccc1CN.
What is the InChIKey of 1-[2-(aminomethyl)phenyl]-N-(5-methylhexan-2-yl)methanesulfonamide?
The InChIKey is CTEQHACMUKSNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-12(2)8-9-13(3)17-20(18,19)11-15-7-5-4-6-14(15)10-16/h4-7,12-13,17H,8-11,16H2,1-3H3.
What are the key properties of 1-[2-(aminomethyl)phenyl]-N-(5-methylhexan-2-yl)methanesulfonamide?
1-[2-(aminomethyl)phenyl]-N-(5-methylhexan-2-yl)methanesulfonamide has a molecular weight of 298.45 g/mol, XLogP of 2.39, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)phenyl]-N-(5-methylhexan-2-yl)methanesulfonamide is sourced from PubChem (CID 43579028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).