4-(benzenesulfonyl)-N-[(E)-2-cyclopropylprop-1-enyl]piperazine-1-carboxamide

C17H23N3O3S — CID 108915653

IUPAC4-(benzenesulfonyl)-N-[(E)-2-cyclopropylprop-1-enyl]piperazine-1-carboxamide
SMILESC/C(=C\NC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)C1CC1
InChIInChI=1S/C17H23N3O3S/c1-14(15-7-8-15)13-18-17(21)19-9-11-20(12-10-19)24(22,23)16-5-3-2-4-6-16/h2-6,13,15H,7-12H2,1H3,(H,18,21)/b14-13+
InChIKeyBJLHOIXJTCZESB-BUHFOSPRSA-N
MW349.46 g/mol
LogP2.02
Rot. Bonds4

About 4-(benzenesulfonyl)-N-[(E)-2-cyclopropylprop-1-enyl]piperazine-1-carboxamide

4-(benzenesulfonyl)-N-[(E)-2-cyclopropylprop-1-enyl]piperazine-1-carboxamide (PubChem CID 108915653) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-N-[(E)-2-cyclopropylprop-1-enyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(benzenesulfonyl)-N-[(E)-2-cyclopropylprop-1-enyl]piperazine-1-carboxamide
PubChem CID108915653
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name4-(benzenesulfonyl)-N-[(E)-2-cyclopropylprop-1-enyl]piperazine-1-carboxamide
SMILESC/C(=C\NC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)C1CC1
InChIInChI=1S/C17H23N3O3S/c1-14(15-7-8-15)13-18-17(21)19-9-11-20(12-10-19)24(22,23)16-5-3-2-4-6-16/h2-6,13,15H,7-12H2,1H3,(H,18,21)/b14-13+
InChIKeyBJLHOIXJTCZESB-BUHFOSPRSA-N
XLogP2.02
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(benzenesulfonyl)-N-[(E)-prop-1-enyl]piperazine-1-carboxamide
CID 108909745
N-[(E)-2-cyclopropylprop-1-enyl]pyrrolidine-1-carboxamide
CID 108915443
4-(benzenesulfonyl)-N-propan-2-yl-1,4-diazepane-1-carboxamide
CID 110811945
4-(4-methylphenyl)sulfonyl-N-[(E)-2,3,3-trimethylbut-1-enyl]piperazine-1-carboxamide
CID 108915281
N-[(E)-2-cyclopropylprop-1-enyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 108915580
4-(benzenesulfonyl)-N-[(E)-2-(4-chlorophenyl)ethenyl]piperazine-1-carboxamide
CID 108908640
4-(benzenesulfonyl)-N-(methoxymethyl)piperazine-1-carboxamide
CID 108893693
[4-(benzenesulfonyl)piperazin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 26020158
methyl 4-(benzenesulfonyl)-1,4-diazepane-1-carboxylate
CID 60575119
N-(1-adamantyl)-4-(benzenesulfonyl)piperazine-1-carboxamide
CID 108896114
N-[(E)-2-(2-chlorophenyl)ethenyl]-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 108904919
[4-(benzenesulfonyl)piperazin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone
CID 55712585

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-N-[(E)-2-cyclopropylprop-1-enyl]piperazine-1-carboxamide?
The IUPAC name of 4-(benzenesulfonyl)-N-[(E)-2-cyclopropylprop-1-enyl]piperazine-1-carboxamide (CID 108915653) is 4-(benzenesulfonyl)-N-[(E)-2-cyclopropylprop-1-enyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(benzenesulfonyl)-N-[(E)-2-cyclopropylprop-1-enyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(benzenesulfonyl)-N-[(E)-2-cyclopropylprop-1-enyl]piperazine-1-carboxamide is C/C(=C\NC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)C1CC1.
What is the InChIKey of 4-(benzenesulfonyl)-N-[(E)-2-cyclopropylprop-1-enyl]piperazine-1-carboxamide?
The InChIKey is BJLHOIXJTCZESB-BUHFOSPRSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-14(15-7-8-15)13-18-17(21)19-9-11-20(12-10-19)24(22,23)16-5-3-2-4-6-16/h2-6,13,15H,7-12H2,1H3,(H,18,21)/b14-13+.
What are the key properties of 4-(benzenesulfonyl)-N-[(E)-2-cyclopropylprop-1-enyl]piperazine-1-carboxamide?
4-(benzenesulfonyl)-N-[(E)-2-cyclopropylprop-1-enyl]piperazine-1-carboxamide has a molecular weight of 349.46 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-N-[(E)-2-cyclopropylprop-1-enyl]piperazine-1-carboxamide is sourced from PubChem (CID 108915653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).