1-[4-(aminomethyl)phenyl]-N-(1-methoxy-3-methylbutan-2-yl)methanesulfonamide

C14H24N2O3S — CID 65047605

IUPAC1-[4-(aminomethyl)phenyl]-N-(1-methoxy-3-methylbutan-2-yl)methanesulfonamide
SMILESCOCC(NS(=O)(=O)Cc1ccc(CN)cc1)C(C)C
InChIInChI=1S/C14H24N2O3S/c1-11(2)14(9-19-3)16-20(17,18)10-13-6-4-12(8-15)5-7-13/h4-7,11,14,16H,8-10,15H2,1-3H3
InChIKeyLDAFLMOBXBANDP-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.24
Rot. Bonds8

About 1-[4-(aminomethyl)phenyl]-N-(1-methoxy-3-methylbutan-2-yl)methanesulfonamide

1-[4-(aminomethyl)phenyl]-N-(1-methoxy-3-methylbutan-2-yl)methanesulfonamide (PubChem CID 65047605) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is 1-[4-(aminomethyl)phenyl]-N-(1-methoxy-3-methylbutan-2-yl)methanesulfonamide.

Molecular Properties

Compound Name1-[4-(aminomethyl)phenyl]-N-(1-methoxy-3-methylbutan-2-yl)methanesulfonamide
PubChem CID65047605
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Name1-[4-(aminomethyl)phenyl]-N-(1-methoxy-3-methylbutan-2-yl)methanesulfonamide
SMILESCOCC(NS(=O)(=O)Cc1ccc(CN)cc1)C(C)C
InChIInChI=1S/C14H24N2O3S/c1-11(2)14(9-19-3)16-20(17,18)10-13-6-4-12(8-15)5-7-13/h4-7,11,14,16H,8-10,15H2,1-3H3
InChIKeyLDAFLMOBXBANDP-UHFFFAOYSA-N
XLogP1.24
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1-methoxy-3-methylbutan-2-yl)sulfamoylmethyl]benzoic acid
CID 65047886
3-(aminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide
CID 65047904
1-[4-(aminomethyl)phenyl]-N-(1-methylsulfanylpropan-2-yl)methanesulfonamide
CID 106079683
2-(aminomethyl)-3-fluoro-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide
CID 65047751
4-(2-aminoethoxy)-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide
CID 106068700
3-(aminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)-4-methylbenzenesulfonamide
CID 106068777
4-(aminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)-3-methylbenzenesulfonamide
CID 106919463
1-(3-aminophenyl)-N-(1-methoxypropan-2-yl)methanesulfonamide
CID 43256349
1-[4-(aminomethyl)phenyl]-N-(1-methylsulfanylbutan-2-yl)methanesulfonamide
CID 106083889
N-(1-amino-4-methylpentan-3-yl)-2-methoxyethanesulfonamide
CID 106357397
1-[4-(aminomethyl)phenyl]-N-(4-methylpentyl)methanesulfonamide
CID 63003353
4-[(1-hydroxy-3-methylbutan-2-yl)sulfamoylmethyl]benzoic acid
CID 79254320

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)phenyl]-N-(1-methoxy-3-methylbutan-2-yl)methanesulfonamide?
The IUPAC name of 1-[4-(aminomethyl)phenyl]-N-(1-methoxy-3-methylbutan-2-yl)methanesulfonamide (CID 65047605) is 1-[4-(aminomethyl)phenyl]-N-(1-methoxy-3-methylbutan-2-yl)methanesulfonamide.
What is the SMILES notation for 1-[4-(aminomethyl)phenyl]-N-(1-methoxy-3-methylbutan-2-yl)methanesulfonamide?
The canonical SMILES for 1-[4-(aminomethyl)phenyl]-N-(1-methoxy-3-methylbutan-2-yl)methanesulfonamide is COCC(NS(=O)(=O)Cc1ccc(CN)cc1)C(C)C.
What is the InChIKey of 1-[4-(aminomethyl)phenyl]-N-(1-methoxy-3-methylbutan-2-yl)methanesulfonamide?
The InChIKey is LDAFLMOBXBANDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-11(2)14(9-19-3)16-20(17,18)10-13-6-4-12(8-15)5-7-13/h4-7,11,14,16H,8-10,15H2,1-3H3.
What are the key properties of 1-[4-(aminomethyl)phenyl]-N-(1-methoxy-3-methylbutan-2-yl)methanesulfonamide?
1-[4-(aminomethyl)phenyl]-N-(1-methoxy-3-methylbutan-2-yl)methanesulfonamide has a molecular weight of 300.42 g/mol, XLogP of 1.24, 8 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-(1-methoxy-3-methylbutan-2-yl)methanesulfonamide is sourced from PubChem (CID 65047605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).