N-(2-methylpropyl)-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-sulfonamide

C14H23N3O3S2 — CID 20934401

IUPACN-(2-methylpropyl)-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-sulfonamide
SMILESCC(C)CN(CC(=O)N1CCNCC1)S(=O)(=O)c1cccs1
InChIInChI=1S/C14H23N3O3S2/c1-12(2)10-17(22(19,20)14-4-3-9-21-14)11-13(18)16-7-5-15-6-8-16/h3-4,9,12,15H,5-8,10-11H2,1-2H3
InChIKeyJZVWFDQHDRCZTM-UHFFFAOYSA-N
MW345.49 g/mol
LogP0.83
Rot. Bonds6

About N-(2-methylpropyl)-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-sulfonamide

N-(2-methylpropyl)-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-sulfonamide (PubChem CID 20934401) has the molecular formula C14H23N3O3S2 and a molecular weight of 345.49 g/mol. Its IUPAC name is N-(2-methylpropyl)-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-sulfonamide
PubChem CID20934401
Molecular FormulaC14H23N3O3S2
Molecular Weight345.49 g/mol
Exact Mass345.12
IUPAC NameN-(2-methylpropyl)-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-sulfonamide
SMILESCC(C)CN(CC(=O)N1CCNCC1)S(=O)(=O)c1cccs1
InChIInChI=1S/C14H23N3O3S2/c1-12(2)10-17(22(19,20)14-4-3-9-21-14)11-13(18)16-7-5-15-6-8-16/h3-4,9,12,15H,5-8,10-11H2,1-2H3
InChIKeyJZVWFDQHDRCZTM-UHFFFAOYSA-N
XLogP0.83
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-oxo-2-piperazin-1-ylethyl)-N-(2-piperidin-1-ylethyl)thiophene-2-sulfonamide
CID 20934420
3,4-dimethoxy-N-(2-methylpropyl)-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 50788439
N-butyl-N-(3-oxo-3-piperazin-1-ylpropyl)thiophene-2-sulfonamide;2,2,2-trifluoroacetic acid
CID 146056690
5-chloro-N-(2-methylpropyl)-N-(3-oxo-3-piperazin-1-ylpropyl)thiophene-2-sulfonamide
CID 50775946
N-[(4-methylphenyl)methyl]-N-(3-oxo-3-piperazin-1-ylpropyl)thiophene-2-sulfonamide;2,2,2-trifluoroacetic acid
CID 146071274
N-(3-oxo-3-piperazin-1-ylpropyl)-N-(2-phenylethyl)thiophene-2-sulfonamide;2,2,2-trifluoroacetic acid
CID 163336465
3,4-dimethoxy-N-(2-methylpropyl)-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide;2,2,2-trifluoroacetic acid
CID 146058785
2,2,2-trifluoroacetic acid;2,4,5-trimethyl-N-(2-methylpropyl)-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 146058787
4-bromo-N-(2-methylpropyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide
CID 46319298
2,4,5-trimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-N-[(2S)-2-phenylpropyl]benzenesulfonamide
CID 92501993
3,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-N-[(2S)-2-phenylpropyl]benzenesulfonamide
CID 94078447
1-piperazin-1-yl-3-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-1-one;hydrochloride
CID 120980871

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-sulfonamide?
The IUPAC name of N-(2-methylpropyl)-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-sulfonamide (CID 20934401) is N-(2-methylpropyl)-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(2-methylpropyl)-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(2-methylpropyl)-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-sulfonamide is CC(C)CN(CC(=O)N1CCNCC1)S(=O)(=O)c1cccs1.
What is the InChIKey of N-(2-methylpropyl)-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-sulfonamide?
The InChIKey is JZVWFDQHDRCZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S2/c1-12(2)10-17(22(19,20)14-4-3-9-21-14)11-13(18)16-7-5-15-6-8-16/h3-4,9,12,15H,5-8,10-11H2,1-2H3.
What are the key properties of N-(2-methylpropyl)-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-sulfonamide?
N-(2-methylpropyl)-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-sulfonamide has a molecular weight of 345.49 g/mol, XLogP of 0.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 20934401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).