3-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]cyclopentane-1-carboxamide;dihydrochloride

C17H28Cl2N4O3S — CID 119864402

IUPAC3-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]cyclopentane-1-carboxamide;dihydrochloride
SMILESCN1CCN(S(=O)(=O)c2cccc(NC(=O)C3CCC(N)C3)c2)CC1.Cl.Cl
InChIInChI=1S/C17H26N4O3S.2ClH/c1-20-7-9-21(10-8-20)25(23,24)16-4-2-3-15(12-16)19-17(22)13-5-6-14(18)11-13;;/h2-4,12-14H,5-11,18H2,1H3,(H,19,22);2*1H
InChIKeyMTWYEXSSKRXRFY-UHFFFAOYSA-N
MW439.41 g/mol
LogP1.53
Rot. Bonds4

About 3-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]cyclopentane-1-carboxamide;dihydrochloride

3-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]cyclopentane-1-carboxamide;dihydrochloride (PubChem CID 119864402) has the molecular formula C17H28Cl2N4O3S and a molecular weight of 439.41 g/mol. Its IUPAC name is 3-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]cyclopentane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]cyclopentane-1-carboxamide;dihydrochloride
PubChem CID119864402
Molecular FormulaC17H28Cl2N4O3S
Molecular Weight439.41 g/mol
Exact Mass438.13
IUPAC Name3-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]cyclopentane-1-carboxamide;dihydrochloride
SMILESCN1CCN(S(=O)(=O)c2cccc(NC(=O)C3CCC(N)C3)c2)CC1.Cl.Cl
InChIInChI=1S/C17H26N4O3S.2ClH/c1-20-7-9-21(10-8-20)25(23,24)16-4-2-3-15(12-16)19-17(22)13-5-6-14(18)11-13;;/h2-4,12-14H,5-11,18H2,1H3,(H,19,22);2*1H
InChIKeyMTWYEXSSKRXRFY-UHFFFAOYSA-N
XLogP1.53
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.41
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]cyclopentane-1-carboxamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]cyclopentane-1-carboxamide
CID 119864403
N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrrolidine-3-carboxamide
CID 119864452
3-amino-N-[3-(methylsulfamoyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119731804
3-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119864405
N-[3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]piperidine-3-carboxamide;dihydrochloride
CID 119876347
3-amino-N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]cyclopentane-1-carboxamide
CID 119899017
2-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide;dihydrochloride
CID 119864412
3-amino-N-[3-[methyl(phenyl)sulfamoyl]phenyl]cyclopentane-1-carboxamide
CID 119676593
4-[(3-piperidin-1-ylsulfonylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120672164
3-amino-N-[3-(methylsulfamoyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119731808
4-hydroxy-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrrolidine-2-carboxamide
CID 119864415
(2S,4S)-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-2-methylpiperidine-4-carboxamide;dihydrochloride
CID 120639924

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]cyclopentane-1-carboxamide;dihydrochloride?
The IUPAC name of 3-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]cyclopentane-1-carboxamide;dihydrochloride (CID 119864402) is 3-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]cyclopentane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]cyclopentane-1-carboxamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]cyclopentane-1-carboxamide;dihydrochloride is CN1CCN(S(=O)(=O)c2cccc(NC(=O)C3CCC(N)C3)c2)CC1.Cl.Cl.
What is the InChIKey of 3-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]cyclopentane-1-carboxamide;dihydrochloride?
The InChIKey is MTWYEXSSKRXRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3S.2ClH/c1-20-7-9-21(10-8-20)25(23,24)16-4-2-3-15(12-16)19-17(22)13-5-6-14(18)11-13;;/h2-4,12-14H,5-11,18H2,1H3,(H,19,22);2*1H.
What are the key properties of 3-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]cyclopentane-1-carboxamide;dihydrochloride?
3-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]cyclopentane-1-carboxamide;dihydrochloride has a molecular weight of 439.41 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]cyclopentane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119864402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).