N-(2-amino-1-cyclopentylethyl)-2-methyl-1,3-dioxoisoindole-5-sulfonamide;hydrochloride

C16H22ClN3O4S — CID 120584972

IUPACN-(2-amino-1-cyclopentylethyl)-2-methyl-1,3-dioxoisoindole-5-sulfonamide;hydrochloride
SMILESCN1C(=O)c2ccc(S(=O)(=O)NC(CN)C3CCCC3)cc2C1=O.Cl
InChIInChI=1S/C16H21N3O4S.ClH/c1-19-15(20)12-7-6-11(8-13(12)16(19)21)24(22,23)18-14(9-17)10-4-2-3-5-10;/h6-8,10,14,18H,2-5,9,17H2,1H3;1H
InChIKeyXCLAWNLGWUJNRB-UHFFFAOYSA-N
MW387.89 g/mol
LogP1.13
Rot. Bonds5

About N-(2-amino-1-cyclopentylethyl)-2-methyl-1,3-dioxoisoindole-5-sulfonamide;hydrochloride

N-(2-amino-1-cyclopentylethyl)-2-methyl-1,3-dioxoisoindole-5-sulfonamide;hydrochloride (PubChem CID 120584972) has the molecular formula C16H22ClN3O4S and a molecular weight of 387.89 g/mol. Its IUPAC name is N-(2-amino-1-cyclopentylethyl)-2-methyl-1,3-dioxoisoindole-5-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopentylethyl)-2-methyl-1,3-dioxoisoindole-5-sulfonamide;hydrochloride
PubChem CID120584972
Molecular FormulaC16H22ClN3O4S
Molecular Weight387.89 g/mol
Exact Mass387.10
IUPAC NameN-(2-amino-1-cyclopentylethyl)-2-methyl-1,3-dioxoisoindole-5-sulfonamide;hydrochloride
SMILESCN1C(=O)c2ccc(S(=O)(=O)NC(CN)C3CCCC3)cc2C1=O.Cl
InChIInChI=1S/C16H21N3O4S.ClH/c1-19-15(20)12-7-6-11(8-13(12)16(19)21)24(22,23)18-14(9-17)10-4-2-3-5-10;/h6-8,10,14,18H,2-5,9,17H2,1H3;1H
InChIKeyXCLAWNLGWUJNRB-UHFFFAOYSA-N
XLogP1.13
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.89
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-2-methyl-1,3-dioxoisoindole-5-sulfonamide;hydrochloride
CID 119986962
N-[2-(aminomethyl)cyclohexyl]-2-methyl-1,3-dioxoisoindole-5-sulfonamide
CID 119986408
N-(2-amino-1-cyclopentylethyl)-3-fluoro-4-methylsulfonylbenzenesulfonamide;hydrochloride
CID 120585234
N-(2-amino-1-cyclopentylethyl)-4-chlorobenzenesulfonamide
CID 106737819
N-(2-amino-1-cyclopropylethyl)-3,4-dimethylbenzenesulfonamide;hydrochloride
CID 119986951
N-(2-amino-1-cyclopentylethyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120584913
N-(2-amino-1-cyclopentylethyl)-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120585169
N-(2-amino-1-cyclopentylethyl)-4-nitrobenzenesulfonamide;hydrochloride
CID 86820092
N-(2-amino-1-cyclohexylethyl)benzenesulfonamide
CID 61122381
N-[5-[(2-amino-1-cyclohexylethyl)sulfamoyl]-2-methylphenyl]acetamide;hydrochloride
CID 119983696
methyl 4-[(2-amino-1-cyclopentylethyl)sulfamoyl]-2-methylbenzoate;hydrochloride
CID 120585325
4-[(2-amino-1-cyclopentylethyl)sulfamoyl]benzamide
CID 106737961

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopentylethyl)-2-methyl-1,3-dioxoisoindole-5-sulfonamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclopentylethyl)-2-methyl-1,3-dioxoisoindole-5-sulfonamide;hydrochloride (CID 120584972) is N-(2-amino-1-cyclopentylethyl)-2-methyl-1,3-dioxoisoindole-5-sulfonamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopentylethyl)-2-methyl-1,3-dioxoisoindole-5-sulfonamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopentylethyl)-2-methyl-1,3-dioxoisoindole-5-sulfonamide;hydrochloride is CN1C(=O)c2ccc(S(=O)(=O)NC(CN)C3CCCC3)cc2C1=O.Cl.
What is the InChIKey of N-(2-amino-1-cyclopentylethyl)-2-methyl-1,3-dioxoisoindole-5-sulfonamide;hydrochloride?
The InChIKey is XCLAWNLGWUJNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4S.ClH/c1-19-15(20)12-7-6-11(8-13(12)16(19)21)24(22,23)18-14(9-17)10-4-2-3-5-10;/h6-8,10,14,18H,2-5,9,17H2,1H3;1H.
What are the key properties of N-(2-amino-1-cyclopentylethyl)-2-methyl-1,3-dioxoisoindole-5-sulfonamide;hydrochloride?
N-(2-amino-1-cyclopentylethyl)-2-methyl-1,3-dioxoisoindole-5-sulfonamide;hydrochloride has a molecular weight of 387.89 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopentylethyl)-2-methyl-1,3-dioxoisoindole-5-sulfonamide;hydrochloride is sourced from PubChem (CID 120584972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).