1-(aminomethyl)-4-[(diethylsulfamoylamino)methyl]benzene

C12H21N3O2S — CID 54936307

IUPAC1-(aminomethyl)-4-[(diethylsulfamoylamino)methyl]benzene
SMILESCCN(CC)S(=O)(=O)NCc1ccc(CN)cc1
InChIInChI=1S/C12H21N3O2S/c1-3-15(4-2)18(16,17)14-10-12-7-5-11(9-13)6-8-12/h5-8,14H,3-4,9-10,13H2,1-2H3
InChIKeyDSOCWIXYRNONKQ-UHFFFAOYSA-N
MW271.39 g/mol
LogP0.82
Rot. Bonds7

About 1-(aminomethyl)-4-[(diethylsulfamoylamino)methyl]benzene

1-(aminomethyl)-4-[(diethylsulfamoylamino)methyl]benzene (PubChem CID 54936307) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 1-(aminomethyl)-4-[(diethylsulfamoylamino)methyl]benzene.

Molecular Properties

Compound Name1-(aminomethyl)-4-[(diethylsulfamoylamino)methyl]benzene
PubChem CID54936307
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name1-(aminomethyl)-4-[(diethylsulfamoylamino)methyl]benzene
SMILESCCN(CC)S(=O)(=O)NCc1ccc(CN)cc1
InChIInChI=1S/C12H21N3O2S/c1-3-15(4-2)18(16,17)14-10-12-7-5-11(9-13)6-8-12/h5-8,14H,3-4,9-10,13H2,1-2H3
InChIKeyDSOCWIXYRNONKQ-UHFFFAOYSA-N
XLogP0.82
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(diethylsulfamoylamino)methyl]-4-(difluoromethoxy)benzene
CID 31076489
1-(aminomethyl)-3-(diethylsulfamoylamino)benzene
CID 28783219
N-[4-[(diethylsulfamoylamino)methyl]phenyl]furan-2-carboxamide
CID 31112265
N-[[4-(aminomethyl)phenyl]methyl]-2-ethoxyethanesulfonamide
CID 63245940
1-[(dipropylsulfamoylamino)methyl]-4-methoxybenzene
CID 46406417
N-[[4-(aminomethyl)phenyl]methyl]-4-methylbenzenesulfonamide
CID 60919101
6-[(diethylsulfamoylamino)methyl]-1-methyl-3,4-dihydro-2H-quinoline
CID 86870483
1-[2-(diethylsulfamoylamino)ethyl]-4-hydroxybenzene
CID 54904084
2-[(diethylsulfamoylamino)methyl]-3-methylthiophene
CID 35610330
2-[[4-(aminomethyl)phenyl]methylsulfamoyl]acetic acid
CID 81091134
2-[[4-(aminomethyl)phenyl]sulfonyl-ethylamino]acetamide
CID 103101685
1-[4-(aminomethyl)phenyl]-N-ethyl-N-(2-ethylbutyl)methanesulfonamide
CID 43588630

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-4-[(diethylsulfamoylamino)methyl]benzene?
The IUPAC name of 1-(aminomethyl)-4-[(diethylsulfamoylamino)methyl]benzene (CID 54936307) is 1-(aminomethyl)-4-[(diethylsulfamoylamino)methyl]benzene.
What is the SMILES notation for 1-(aminomethyl)-4-[(diethylsulfamoylamino)methyl]benzene?
The canonical SMILES for 1-(aminomethyl)-4-[(diethylsulfamoylamino)methyl]benzene is CCN(CC)S(=O)(=O)NCc1ccc(CN)cc1.
What is the InChIKey of 1-(aminomethyl)-4-[(diethylsulfamoylamino)methyl]benzene?
The InChIKey is DSOCWIXYRNONKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-3-15(4-2)18(16,17)14-10-12-7-5-11(9-13)6-8-12/h5-8,14H,3-4,9-10,13H2,1-2H3.
What are the key properties of 1-(aminomethyl)-4-[(diethylsulfamoylamino)methyl]benzene?
1-(aminomethyl)-4-[(diethylsulfamoylamino)methyl]benzene has a molecular weight of 271.39 g/mol, XLogP of 0.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-4-[(diethylsulfamoylamino)methyl]benzene is sourced from PubChem (CID 54936307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).