2-[2-amino-1-(dimethylsulfamoylamino)ethyl]naphthalene

C14H19N3O2S — CID 120584363

IUPAC2-[2-amino-1-(dimethylsulfamoylamino)ethyl]naphthalene
SMILESCN(C)S(=O)(=O)NC(CN)c1ccc2ccccc2c1
InChIInChI=1S/C14H19N3O2S/c1-17(2)20(18,19)16-14(10-15)13-8-7-11-5-3-4-6-12(11)9-13/h3-9,14,16H,10,15H2,1-2H3
InChIKeyBIZSBOARIBGBJQ-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.24
Rot. Bonds5

About 2-[2-amino-1-(dimethylsulfamoylamino)ethyl]naphthalene

2-[2-amino-1-(dimethylsulfamoylamino)ethyl]naphthalene (PubChem CID 120584363) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 2-[2-amino-1-(dimethylsulfamoylamino)ethyl]naphthalene.

Molecular Properties

Compound Name2-[2-amino-1-(dimethylsulfamoylamino)ethyl]naphthalene
PubChem CID120584363
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name2-[2-amino-1-(dimethylsulfamoylamino)ethyl]naphthalene
SMILESCN(C)S(=O)(=O)NC(CN)c1ccc2ccccc2c1
InChIInChI=1S/C14H19N3O2S/c1-17(2)20(18,19)16-14(10-15)13-8-7-11-5-3-4-6-12(11)9-13/h3-9,14,16H,10,15H2,1-2H3
InChIKeyBIZSBOARIBGBJQ-UHFFFAOYSA-N
XLogP1.24
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-amino-1-[bis(2-methoxyethyl)sulfamoylamino]ethyl]naphthalene
CID 120584385
N-(2-amino-1-naphthalen-2-ylethyl)butane-1-sulfonamide;hydrochloride
CID 120584320
N-(2-amino-1-naphthalen-2-ylethyl)-2-(ethylsulfonylamino)ethanesulfonamide;hydrochloride
CID 120584336
N-(2-amino-1-naphthalen-2-ylethyl)-2-(methanesulfonamido)propanamide;hydrochloride
CID 120567726
[2-amino-1-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]benzene
CID 55151705
N-(2-amino-1-naphthalen-2-ylethyl)-2-(methanesulfonamido)-2-methylpropanamide;hydrochloride
CID 120597706
3-amino-N-(2-amino-1-naphthalen-2-ylethyl)propanamide
CID 122081221
N-(2-amino-1-naphthalen-2-ylethyl)-3-methylbutanamide
CID 120567667
2-[(2-amino-1-naphthalen-2-ylethyl)amino]ethanol
CID 65379520
N-ethyl-2-ethylsulfonyl-1-naphthalen-2-ylethanamine
CID 64646583
[2-(dimethylsulfamoylamino)-2-phenylethyl]benzene
CID 42955151
N-(1-naphthalen-2-ylethyl)methanesulfonamide
CID 3715918

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-1-(dimethylsulfamoylamino)ethyl]naphthalene?
The IUPAC name of 2-[2-amino-1-(dimethylsulfamoylamino)ethyl]naphthalene (CID 120584363) is 2-[2-amino-1-(dimethylsulfamoylamino)ethyl]naphthalene.
What is the SMILES notation for 2-[2-amino-1-(dimethylsulfamoylamino)ethyl]naphthalene?
The canonical SMILES for 2-[2-amino-1-(dimethylsulfamoylamino)ethyl]naphthalene is CN(C)S(=O)(=O)NC(CN)c1ccc2ccccc2c1.
What is the InChIKey of 2-[2-amino-1-(dimethylsulfamoylamino)ethyl]naphthalene?
The InChIKey is BIZSBOARIBGBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-17(2)20(18,19)16-14(10-15)13-8-7-11-5-3-4-6-12(11)9-13/h3-9,14,16H,10,15H2,1-2H3.
What are the key properties of 2-[2-amino-1-(dimethylsulfamoylamino)ethyl]naphthalene?
2-[2-amino-1-(dimethylsulfamoylamino)ethyl]naphthalene has a molecular weight of 293.39 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-1-(dimethylsulfamoylamino)ethyl]naphthalene is sourced from PubChem (CID 120584363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).