4-(benzenesulfonyl)-N-[(E)-prop-1-enyl]piperazine-1-carboxamide

C14H19N3O3S — CID 108909745

IUPAC4-(benzenesulfonyl)-N-[(E)-prop-1-enyl]piperazine-1-carboxamide
SMILESC/C=C/NC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C14H19N3O3S/c1-2-8-15-14(18)16-9-11-17(12-10-16)21(19,20)13-6-4-3-5-7-13/h2-8H,9-12H2,1H3,(H,15,18)/b8-2+
InChIKeyUNYWGXROKFQWAK-KRXBUXKQSA-N
MW309.39 g/mol
LogP1.24
Rot. Bonds3

About 4-(benzenesulfonyl)-N-[(E)-prop-1-enyl]piperazine-1-carboxamide

4-(benzenesulfonyl)-N-[(E)-prop-1-enyl]piperazine-1-carboxamide (PubChem CID 108909745) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-N-[(E)-prop-1-enyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(benzenesulfonyl)-N-[(E)-prop-1-enyl]piperazine-1-carboxamide
PubChem CID108909745
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name4-(benzenesulfonyl)-N-[(E)-prop-1-enyl]piperazine-1-carboxamide
SMILESC/C=C/NC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C14H19N3O3S/c1-2-8-15-14(18)16-9-11-17(12-10-16)21(19,20)13-6-4-3-5-7-13/h2-8H,9-12H2,1H3,(H,15,18)/b8-2+
InChIKeyUNYWGXROKFQWAK-KRXBUXKQSA-N
XLogP1.24
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(benzenesulfonyl)-N-[(E)-2-cyclopropylprop-1-enyl]piperazine-1-carboxamide
CID 108915653
4-(benzenesulfonyl)-N-[(E)-2-(4-chlorophenyl)ethenyl]piperazine-1-carboxamide
CID 108908640
N-[(E)-2-(2-chlorophenyl)ethenyl]-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 108904919
4-(benzenesulfonyl)-N-(methoxymethyl)piperazine-1-carboxamide
CID 108893693
4-(benzenesulfonyl)-N-propan-2-yl-1,4-diazepane-1-carboxamide
CID 110811945
4-(benzenesulfonyl)-N-[(4-bromophenyl)methyl]piperazine-1-carboxamide
CID 108899617
N-[(E)-2-cyclopentylethenyl]-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 108911979
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-methylsulfanylethanone
CID 26865936
methyl 4-(benzenesulfonyl)-1,4-diazepane-1-carboxylate
CID 60575119
N-(1-adamantyl)-4-(benzenesulfonyl)piperazine-1-carboxamide
CID 108896114
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-bromopropan-1-one
CID 107903486
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-ethylbutan-1-one
CID 17191200

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-N-[(E)-prop-1-enyl]piperazine-1-carboxamide?
The IUPAC name of 4-(benzenesulfonyl)-N-[(E)-prop-1-enyl]piperazine-1-carboxamide (CID 108909745) is 4-(benzenesulfonyl)-N-[(E)-prop-1-enyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(benzenesulfonyl)-N-[(E)-prop-1-enyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(benzenesulfonyl)-N-[(E)-prop-1-enyl]piperazine-1-carboxamide is C/C=C/NC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 4-(benzenesulfonyl)-N-[(E)-prop-1-enyl]piperazine-1-carboxamide?
The InChIKey is UNYWGXROKFQWAK-KRXBUXKQSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-2-8-15-14(18)16-9-11-17(12-10-16)21(19,20)13-6-4-3-5-7-13/h2-8H,9-12H2,1H3,(H,15,18)/b8-2+.
What are the key properties of 4-(benzenesulfonyl)-N-[(E)-prop-1-enyl]piperazine-1-carboxamide?
4-(benzenesulfonyl)-N-[(E)-prop-1-enyl]piperazine-1-carboxamide has a molecular weight of 309.39 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-N-[(E)-prop-1-enyl]piperazine-1-carboxamide is sourced from PubChem (CID 108909745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).