2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(cyclopropylcarbamoyl)acetamide

C17H25N4O4S+ — CID 9443333

IUPAC2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(cyclopropylcarbamoyl)acetamide
SMILESO=C(C[NH+]1CCN(S(=O)(=O)Cc2ccccc2)CC1)NC(=O)NC1CC1
InChIInChI=1S/C17H24N4O4S/c22-16(19-17(23)18-15-6-7-15)12-20-8-10-21(11-9-20)26(24,25)13-14-4-2-1-3-5-14/h1-5,15H,6-13H2,(H2,18,19,22,23)/p+1
InChIKeyAZNUKJHZICOMHC-UHFFFAOYSA-O
MW381.48 g/mol
LogP-1.29
Rot. Bonds6

About 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(cyclopropylcarbamoyl)acetamide

2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(cyclopropylcarbamoyl)acetamide (PubChem CID 9443333) has the molecular formula C17H25N4O4S+ and a molecular weight of 381.48 g/mol. Its IUPAC name is 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(cyclopropylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(cyclopropylcarbamoyl)acetamide
PubChem CID9443333
Molecular FormulaC17H25N4O4S+
Molecular Weight381.48 g/mol
Exact Mass381.16
IUPAC Name2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(cyclopropylcarbamoyl)acetamide
SMILESO=C(C[NH+]1CCN(S(=O)(=O)Cc2ccccc2)CC1)NC(=O)NC1CC1
InChIInChI=1S/C17H24N4O4S/c22-16(19-17(23)18-15-6-7-15)12-20-8-10-21(11-9-20)26(24,25)13-14-4-2-1-3-5-14/h1-5,15H,6-13H2,(H2,18,19,22,23)/p+1
InChIKeyAZNUKJHZICOMHC-UHFFFAOYSA-O
XLogP-1.29
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 5-1.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-benzylsulfonylpiperazin-1-yl)-N-(cyclopropylcarbamoyl)acetamide
CID 9443334
(2S)-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-cyclopropylpropanamide
CID 8711888
N-(cyclopropylcarbamoyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 8528975
1-(1-benzylsulfonylpiperidin-4-yl)-3-propan-2-ylurea
CID 110823299
N-(cyclopropylcarbamoyl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
CID 8796985
2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]ethanone
CID 8694098
2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 9443438
2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(cyclopentylcarbamoyl)acetamide
CID 2573315
4-amino-N-(1-benzylsulfonylpiperidin-4-yl)butanamide
CID 119330438
4-amino-N-(1-benzylsulfonylpiperidin-4-yl)butanamide;hydrochloride
CID 119330437
2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(3-methylsulfanylphenyl)acetamide
CID 9443698
N-(cyclopropylcarbamoyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide
CID 8897089

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(cyclopropylcarbamoyl)acetamide?
The IUPAC name of 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(cyclopropylcarbamoyl)acetamide (CID 9443333) is 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(cyclopropylcarbamoyl)acetamide.
What is the SMILES notation for 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(cyclopropylcarbamoyl)acetamide?
The canonical SMILES for 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(cyclopropylcarbamoyl)acetamide is O=C(C[NH+]1CCN(S(=O)(=O)Cc2ccccc2)CC1)NC(=O)NC1CC1.
What is the InChIKey of 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(cyclopropylcarbamoyl)acetamide?
The InChIKey is AZNUKJHZICOMHC-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H24N4O4S/c22-16(19-17(23)18-15-6-7-15)12-20-8-10-21(11-9-20)26(24,25)13-14-4-2-1-3-5-14/h1-5,15H,6-13H2,(H2,18,19,22,23)/p+1.
What are the key properties of 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(cyclopropylcarbamoyl)acetamide?
2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(cyclopropylcarbamoyl)acetamide has a molecular weight of 381.48 g/mol, XLogP of -1.29, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(cyclopropylcarbamoyl)acetamide is sourced from PubChem (CID 9443333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).