N,N-dimethyl-4-(2-sulfanylbenzoyl)piperazine-1-carboxamide

C14H19N3O2S — CID 108569403

IUPACN,N-dimethyl-4-(2-sulfanylbenzoyl)piperazine-1-carboxamide
SMILESCN(C)C(=O)N1CCN(C(=O)c2ccccc2S)CC1
InChIInChI=1S/C14H19N3O2S/c1-15(2)14(19)17-9-7-16(8-10-17)13(18)11-5-3-4-6-12(11)20/h3-6,20H,7-10H2,1-2H3
InChIKeyFHOCEVIXGMARFM-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.41
Rot. Bonds1

About N,N-dimethyl-4-(2-sulfanylbenzoyl)piperazine-1-carboxamide

N,N-dimethyl-4-(2-sulfanylbenzoyl)piperazine-1-carboxamide (PubChem CID 108569403) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is N,N-dimethyl-4-(2-sulfanylbenzoyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(2-sulfanylbenzoyl)piperazine-1-carboxamide
PubChem CID108569403
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC NameN,N-dimethyl-4-(2-sulfanylbenzoyl)piperazine-1-carboxamide
SMILESCN(C)C(=O)N1CCN(C(=O)c2ccccc2S)CC1
InChIInChI=1S/C14H19N3O2S/c1-15(2)14(19)17-9-7-16(8-10-17)13(18)11-5-3-4-6-12(11)20/h3-6,20H,7-10H2,1-2H3
InChIKeyFHOCEVIXGMARFM-UHFFFAOYSA-N
XLogP1.41
TPSA43.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-benzoyl-N,N-dimethylpiperazine-1-carboxamide
CID 1121209
2-chloro-1-[4-(2-sulfanylbenzoyl)piperazin-1-yl]ethanone
CID 108569413
2-ethyl-1-[4-(2-sulfanylbenzoyl)piperazin-1-yl]butan-1-one
CID 108536569
(4-chlorophenyl)-[4-(2-sulfanylbenzoyl)piperazin-1-yl]methanone
CID 108534125
4-(3-amino-2-chlorobenzoyl)-N,N-dimethylpiperazine-1-carboxamide
CID 115930358
(4-methoxyphenyl)-[4-(2-sulfanylbenzoyl)piperazin-1-yl]methanone
CID 108533518
piperazine;pyrrolidin-1-yl-(2-sulfanylphenyl)methanone
CID 158455886
2,2-diphenyl-1-[4-(2-sulfanylbenzoyl)-1,4-diazepan-1-yl]ethanone
CID 108544395
2-methoxy-1-[4-(2-sulfanylbenzoyl)-1,4-diazepan-1-yl]ethanone
CID 108547455
1,3-benzodioxol-5-yl-[4-(2-sulfanylbenzoyl)piperazin-1-yl]methanone
CID 108536588
3,6-dihydro-2H-pyridin-1-yl-(2-sulfanylphenyl)methanone
CID 107036222
[4-(2,5-dichlorobenzoyl)-1,4-diazepan-1-yl]-(2-sulfanylphenyl)methanone
CID 108547390

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(2-sulfanylbenzoyl)piperazine-1-carboxamide?
The IUPAC name of N,N-dimethyl-4-(2-sulfanylbenzoyl)piperazine-1-carboxamide (CID 108569403) is N,N-dimethyl-4-(2-sulfanylbenzoyl)piperazine-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-(2-sulfanylbenzoyl)piperazine-1-carboxamide?
The canonical SMILES for N,N-dimethyl-4-(2-sulfanylbenzoyl)piperazine-1-carboxamide is CN(C)C(=O)N1CCN(C(=O)c2ccccc2S)CC1.
What is the InChIKey of N,N-dimethyl-4-(2-sulfanylbenzoyl)piperazine-1-carboxamide?
The InChIKey is FHOCEVIXGMARFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-15(2)14(19)17-9-7-16(8-10-17)13(18)11-5-3-4-6-12(11)20/h3-6,20H,7-10H2,1-2H3.
What are the key properties of N,N-dimethyl-4-(2-sulfanylbenzoyl)piperazine-1-carboxamide?
N,N-dimethyl-4-(2-sulfanylbenzoyl)piperazine-1-carboxamide has a molecular weight of 293.39 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(2-sulfanylbenzoyl)piperazine-1-carboxamide is sourced from PubChem (CID 108569403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).