N-(2-amino-1-cyclopentylethyl)-3-(1,3-dioxoisoindol-2-yl)propane-1-sulfonamide;hydrochloride

C18H26ClN3O4S — CID 120713685

IUPACN-(2-amino-1-cyclopentylethyl)-3-(1,3-dioxoisoindol-2-yl)propane-1-sulfonamide;hydrochloride
SMILESCl.NCC(NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O)C1CCCC1
InChIInChI=1S/C18H25N3O4S.ClH/c19-12-16(13-6-1-2-7-13)20-26(24,25)11-5-10-21-17(22)14-8-3-4-9-15(14)18(21)23;/h3-4,8-9,13,16,20H,1-2,5-7,10-12,19H2;1H
InChIKeyCISXMWMWKKTTIB-UHFFFAOYSA-N
MW415.94 g/mol
LogP1.53
Rot. Bonds8

About N-(2-amino-1-cyclopentylethyl)-3-(1,3-dioxoisoindol-2-yl)propane-1-sulfonamide;hydrochloride

N-(2-amino-1-cyclopentylethyl)-3-(1,3-dioxoisoindol-2-yl)propane-1-sulfonamide;hydrochloride (PubChem CID 120713685) has the molecular formula C18H26ClN3O4S and a molecular weight of 415.94 g/mol. Its IUPAC name is N-(2-amino-1-cyclopentylethyl)-3-(1,3-dioxoisoindol-2-yl)propane-1-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopentylethyl)-3-(1,3-dioxoisoindol-2-yl)propane-1-sulfonamide;hydrochloride
PubChem CID120713685
Molecular FormulaC18H26ClN3O4S
Molecular Weight415.94 g/mol
Exact Mass415.13
IUPAC NameN-(2-amino-1-cyclopentylethyl)-3-(1,3-dioxoisoindol-2-yl)propane-1-sulfonamide;hydrochloride
SMILESCl.NCC(NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O)C1CCCC1
InChIInChI=1S/C18H25N3O4S.ClH/c19-12-16(13-6-1-2-7-13)20-26(24,25)11-5-10-21-17(22)14-8-3-4-9-15(14)18(21)23;/h3-4,8-9,13,16,20H,1-2,5-7,10-12,19H2;1H
InChIKeyCISXMWMWKKTTIB-UHFFFAOYSA-N
XLogP1.53
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.94
LogP ≤ 51.53
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-cyclopentylethyl)-2-methyl-1,3-dioxoisoindole-5-sulfonamide;hydrochloride
CID 120584972
3-(1,3-dioxoisoindol-2-yl)-N-(pyrrolidin-2-ylmethyl)propane-1-sulfonamide;hydrochloride
CID 120709020
2-[3-[3-(1-aminoethyl)piperidin-1-yl]sulfonylpropyl]isoindole-1,3-dione;hydrochloride
CID 120710926
N-cyclohexyl-2-(1,3-dioxoisoindol-2-yl)ethanesulfonamide
CID 23005465
2-[3-[3-(1-aminoethyl)piperidin-1-yl]sulfonylpropyl]isoindole-1,3-dione
CID 120710927
N-(2-amino-1-cyclohexylethyl)benzenesulfonamide
CID 61122381
2-[4-(cyclopentylamino)butyl]isoindole-1,3-dione
CID 119156682
N-(2-amino-2-methylpropyl)-3-(1,3-dioxoisoindol-2-yl)propane-1-sulfonamide
CID 120711592
2-[3-[3-(methylamino)piperidin-1-yl]sulfonylpropyl]isoindole-1,3-dione
CID 120715473
2-[3-[[cyclopropyl(phenyl)methyl]amino]propyl]isoindole-1,3-dione
CID 112809038
2-[3-(3,9-diazabicyclo[4.2.1]nonan-3-ylsulfonyl)propyl]isoindole-1,3-dione;hydrochloride
CID 120711835
3-(1,3-dioxoisoindol-2-yl)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]propane-1-sulfonamide
CID 97307677

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopentylethyl)-3-(1,3-dioxoisoindol-2-yl)propane-1-sulfonamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclopentylethyl)-3-(1,3-dioxoisoindol-2-yl)propane-1-sulfonamide;hydrochloride (CID 120713685) is N-(2-amino-1-cyclopentylethyl)-3-(1,3-dioxoisoindol-2-yl)propane-1-sulfonamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopentylethyl)-3-(1,3-dioxoisoindol-2-yl)propane-1-sulfonamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopentylethyl)-3-(1,3-dioxoisoindol-2-yl)propane-1-sulfonamide;hydrochloride is Cl.NCC(NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O)C1CCCC1.
What is the InChIKey of N-(2-amino-1-cyclopentylethyl)-3-(1,3-dioxoisoindol-2-yl)propane-1-sulfonamide;hydrochloride?
The InChIKey is CISXMWMWKKTTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4S.ClH/c19-12-16(13-6-1-2-7-13)20-26(24,25)11-5-10-21-17(22)14-8-3-4-9-15(14)18(21)23;/h3-4,8-9,13,16,20H,1-2,5-7,10-12,19H2;1H.
What are the key properties of N-(2-amino-1-cyclopentylethyl)-3-(1,3-dioxoisoindol-2-yl)propane-1-sulfonamide;hydrochloride?
N-(2-amino-1-cyclopentylethyl)-3-(1,3-dioxoisoindol-2-yl)propane-1-sulfonamide;hydrochloride has a molecular weight of 415.94 g/mol, XLogP of 1.53, 8 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)-3-(1,3-dioxoisoindol-2-yl)propane-1-sulfonamide;hydrochloride is sourced from PubChem (CID 120713685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).