4-(benzenesulfonyl)-N-methyl-1-propan-2-ylpiperazine-2-carboxamide

C15H23N3O3S — CID 175656886

IUPAC4-(benzenesulfonyl)-N-methyl-1-propan-2-ylpiperazine-2-carboxamide
SMILESCNC(=O)C1CN(S(=O)(=O)c2ccccc2)CCN1C(C)C
InChIInChI=1S/C15H23N3O3S/c1-12(2)18-10-9-17(11-14(18)15(19)16-3)22(20,21)13-7-5-4-6-8-13/h4-8,12,14H,9-11H2,1-3H3,(H,16,19)
InChIKeyMYKMRQZAXKJMGA-UHFFFAOYSA-N
MW325.43 g/mol
LogP0.52
Rot. Bonds4

About 4-(benzenesulfonyl)-N-methyl-1-propan-2-ylpiperazine-2-carboxamide

4-(benzenesulfonyl)-N-methyl-1-propan-2-ylpiperazine-2-carboxamide (PubChem CID 175656886) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-N-methyl-1-propan-2-ylpiperazine-2-carboxamide.

Molecular Properties

Compound Name4-(benzenesulfonyl)-N-methyl-1-propan-2-ylpiperazine-2-carboxamide
PubChem CID175656886
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name4-(benzenesulfonyl)-N-methyl-1-propan-2-ylpiperazine-2-carboxamide
SMILESCNC(=O)C1CN(S(=O)(=O)c2ccccc2)CCN1C(C)C
InChIInChI=1S/C15H23N3O3S/c1-12(2)18-10-9-17(11-14(18)15(19)16-3)22(20,21)13-7-5-4-6-8-13/h4-8,12,14H,9-11H2,1-3H3,(H,16,19)
InChIKeyMYKMRQZAXKJMGA-UHFFFAOYSA-N
XLogP0.52
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1,4-bis(benzenesulfonyl)-N-[(1R)-1-phenylethyl]piperazine-2-carboxamide
CID 1106368
4-(4-iodophenyl)sulfonyl-N-methyl-1-(4-phenylphenyl)sulfonylpiperazine-2-carboxamide
CID 162661004
4-(3-bromophenyl)sulfonyl-N-methyl-1-(4-phenylphenyl)sulfonylpiperazine-2-carboxamide
CID 162673923
1-(benzenesulfonyl)-N-propan-2-ylpiperidine-3-carboxamide
CID 51179844
methyl (2S)-4-(benzenesulfonyl)-1-methylsulfonylpiperazine-2-carboxylate
CID 7161589
(2S)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-methylpropanamide
CID 8692524
1-(benzenesulfonyl)-N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]piperidine-3-carboxamide
CID 56544322
(2R)-N-methyl-4-[4-(N-methylanilino)butanoyl]-1-propan-2-ylpiperazine-2-carboxamide
CID 124948534
4-(benzenesulfonyl)-1-benzoylpiperazine-2-carboxylic acid
CID 44783605
(3R)-1-(benzenesulfonyl)-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide
CID 39878026
ethyl (2R)-1,4-bis(benzenesulfonyl)piperazine-2-carboxylate
CID 40836445
(2S)-1,4-bis(benzenesulfonyl)-N-(2-phenylsulfanylphenyl)piperazine-2-carboxamide
CID 126266915

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-N-methyl-1-propan-2-ylpiperazine-2-carboxamide?
The IUPAC name of 4-(benzenesulfonyl)-N-methyl-1-propan-2-ylpiperazine-2-carboxamide (CID 175656886) is 4-(benzenesulfonyl)-N-methyl-1-propan-2-ylpiperazine-2-carboxamide.
What is the SMILES notation for 4-(benzenesulfonyl)-N-methyl-1-propan-2-ylpiperazine-2-carboxamide?
The canonical SMILES for 4-(benzenesulfonyl)-N-methyl-1-propan-2-ylpiperazine-2-carboxamide is CNC(=O)C1CN(S(=O)(=O)c2ccccc2)CCN1C(C)C.
What is the InChIKey of 4-(benzenesulfonyl)-N-methyl-1-propan-2-ylpiperazine-2-carboxamide?
The InChIKey is MYKMRQZAXKJMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-12(2)18-10-9-17(11-14(18)15(19)16-3)22(20,21)13-7-5-4-6-8-13/h4-8,12,14H,9-11H2,1-3H3,(H,16,19).
What are the key properties of 4-(benzenesulfonyl)-N-methyl-1-propan-2-ylpiperazine-2-carboxamide?
4-(benzenesulfonyl)-N-methyl-1-propan-2-ylpiperazine-2-carboxamide has a molecular weight of 325.43 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-N-methyl-1-propan-2-ylpiperazine-2-carboxamide is sourced from PubChem (CID 175656886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).