N-(2-amino-1-naphthalen-2-ylethyl)-2-(ethylsulfonylamino)ethanesulfonamide;hydrochloride

C16H24ClN3O4S2 — CID 120584336

IUPACN-(2-amino-1-naphthalen-2-ylethyl)-2-(ethylsulfonylamino)ethanesulfonamide;hydrochloride
SMILESCCS(=O)(=O)NCCS(=O)(=O)NC(CN)c1ccc2ccccc2c1.Cl
InChIInChI=1S/C16H23N3O4S2.ClH/c1-2-24(20,21)18-9-10-25(22,23)19-16(12-17)15-8-7-13-5-3-4-6-14(13)11-15;/h3-8,11,16,18-19H,2,9-10,12,17H2,1H3;1H
InChIKeyUWJAUDMEZBIYBO-UHFFFAOYSA-N
MW421.97 g/mol
LogP1.12
Rot. Bonds9

About N-(2-amino-1-naphthalen-2-ylethyl)-2-(ethylsulfonylamino)ethanesulfonamide;hydrochloride

N-(2-amino-1-naphthalen-2-ylethyl)-2-(ethylsulfonylamino)ethanesulfonamide;hydrochloride (PubChem CID 120584336) has the molecular formula C16H24ClN3O4S2 and a molecular weight of 421.97 g/mol. Its IUPAC name is N-(2-amino-1-naphthalen-2-ylethyl)-2-(ethylsulfonylamino)ethanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-naphthalen-2-ylethyl)-2-(ethylsulfonylamino)ethanesulfonamide;hydrochloride
PubChem CID120584336
Molecular FormulaC16H24ClN3O4S2
Molecular Weight421.97 g/mol
Exact Mass421.09
IUPAC NameN-(2-amino-1-naphthalen-2-ylethyl)-2-(ethylsulfonylamino)ethanesulfonamide;hydrochloride
SMILESCCS(=O)(=O)NCCS(=O)(=O)NC(CN)c1ccc2ccccc2c1.Cl
InChIInChI=1S/C16H23N3O4S2.ClH/c1-2-24(20,21)18-9-10-25(22,23)19-16(12-17)15-8-7-13-5-3-4-6-14(13)11-15;/h3-8,11,16,18-19H,2,9-10,12,17H2,1H3;1H
InChIKeyUWJAUDMEZBIYBO-UHFFFAOYSA-N
XLogP1.12
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.97
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-1-naphthalen-2-ylethyl)butane-1-sulfonamide;hydrochloride
CID 120584320
2-[2-amino-1-(dimethylsulfamoylamino)ethyl]naphthalene
CID 120584363
2-[2-amino-1-[bis(2-methoxyethyl)sulfamoylamino]ethyl]naphthalene
CID 120584385
N-(2-amino-1-naphthalen-2-ylethyl)-2-(2-ethoxyethylsulfonylamino)acetamide;hydrochloride
CID 120567612
N-(2-amino-1-naphthalen-2-ylethyl)-2-(methanesulfonamido)-2-methylpropanamide;hydrochloride
CID 120597706
N-(2-amino-1-naphthalen-2-ylethyl)-2-(methanesulfonamido)propanamide;hydrochloride
CID 120567726
2-[(2-amino-1-naphthalen-2-ylethyl)amino]ethanol
CID 65379520
N-(2-amino-2-phenylethyl)-2-(ethylsulfonylamino)ethanesulfonamide;hydrochloride
CID 119976308
N-ethyl-2-ethylsulfonyl-1-naphthalen-2-ylethanamine
CID 64646583
N-methyl-1-naphthalen-2-yl-2-propylsulfonylethanamine
CID 64644731
3-amino-N-(2-amino-1-naphthalen-2-ylethyl)propanamide
CID 122081221
N-(2-amino-1-naphthalen-2-ylethyl)-3-methylbutanamide
CID 120567667

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-naphthalen-2-ylethyl)-2-(ethylsulfonylamino)ethanesulfonamide;hydrochloride?
The IUPAC name of N-(2-amino-1-naphthalen-2-ylethyl)-2-(ethylsulfonylamino)ethanesulfonamide;hydrochloride (CID 120584336) is N-(2-amino-1-naphthalen-2-ylethyl)-2-(ethylsulfonylamino)ethanesulfonamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-naphthalen-2-ylethyl)-2-(ethylsulfonylamino)ethanesulfonamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-naphthalen-2-ylethyl)-2-(ethylsulfonylamino)ethanesulfonamide;hydrochloride is CCS(=O)(=O)NCCS(=O)(=O)NC(CN)c1ccc2ccccc2c1.Cl.
What is the InChIKey of N-(2-amino-1-naphthalen-2-ylethyl)-2-(ethylsulfonylamino)ethanesulfonamide;hydrochloride?
The InChIKey is UWJAUDMEZBIYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4S2.ClH/c1-2-24(20,21)18-9-10-25(22,23)19-16(12-17)15-8-7-13-5-3-4-6-14(13)11-15;/h3-8,11,16,18-19H,2,9-10,12,17H2,1H3;1H.
What are the key properties of N-(2-amino-1-naphthalen-2-ylethyl)-2-(ethylsulfonylamino)ethanesulfonamide;hydrochloride?
N-(2-amino-1-naphthalen-2-ylethyl)-2-(ethylsulfonylamino)ethanesulfonamide;hydrochloride has a molecular weight of 421.97 g/mol, XLogP of 1.12, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-naphthalen-2-ylethyl)-2-(ethylsulfonylamino)ethanesulfonamide;hydrochloride is sourced from PubChem (CID 120584336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).