N-[1-(aminomethyl)cyclopentyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide

C19H30N4O3S — CID 119566064

IUPACN-[1-(aminomethyl)cyclopentyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
SMILESCc1ccc(S(=O)(=O)N2CCN(CC(=O)NC3(CN)CCCC3)CC2)cc1
InChIInChI=1S/C19H30N4O3S/c1-16-4-6-17(7-5-16)27(25,26)23-12-10-22(11-13-23)14-18(24)21-19(15-20)8-2-3-9-19/h4-7H,2-3,8-15,20H2,1H3,(H,21,24)
InChIKeyQTGMHKJGPANTKZ-UHFFFAOYSA-N
MW394.54 g/mol
LogP0.69
Rot. Bonds6

About N-[1-(aminomethyl)cyclopentyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide

N-[1-(aminomethyl)cyclopentyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide (PubChem CID 119566064) has the molecular formula C19H30N4O3S and a molecular weight of 394.54 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
PubChem CID119566064
Molecular FormulaC19H30N4O3S
Molecular Weight394.54 g/mol
Exact Mass394.20
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
SMILESCc1ccc(S(=O)(=O)N2CCN(CC(=O)NC3(CN)CCCC3)CC2)cc1
InChIInChI=1S/C19H30N4O3S/c1-16-4-6-17(7-5-16)27(25,26)23-12-10-22(11-13-23)14-18(24)21-19(15-20)8-2-3-9-19/h4-7H,2-3,8-15,20H2,1H3,(H,21,24)
InChIKeyQTGMHKJGPANTKZ-UHFFFAOYSA-N
XLogP0.69
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 8742873
N-[1-(aminomethyl)cyclopentyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 119565800
N-ethyl-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]acetamide
CID 27125327
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-propylacetamide
CID 31341519
N-(2-amino-2-ethylbutyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 119641093
N-(1-cyclopropylethyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 55411673
N-(2-methylbutan-2-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 8692203
methyl 2-methyl-2-[[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetyl]amino]propanoate
CID 55911424
N-[2-(methylamino)ethyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide;dihydrochloride
CID 119501378
3,3-dimethyl-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-2-one
CID 110709795
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 2685661
N-(4-bromophenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 2655466

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide (CID 119566064) is N-[1-(aminomethyl)cyclopentyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide is Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NC3(CN)CCCC3)CC2)cc1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide?
The InChIKey is QTGMHKJGPANTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3S/c1-16-4-6-17(7-5-16)27(25,26)23-12-10-22(11-13-23)14-18(24)21-19(15-20)8-2-3-9-19/h4-7H,2-3,8-15,20H2,1H3,(H,21,24).
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide?
N-[1-(aminomethyl)cyclopentyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide has a molecular weight of 394.54 g/mol, XLogP of 0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide is sourced from PubChem (CID 119566064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).