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

C17H28N4O3S2 — CID 20934420

IUPACN-(2-oxo-2-piperazin-1-ylethyl)-N-(2-piperidin-1-ylethyl)thiophene-2-sulfonamide
SMILESO=C(CN(CCN1CCCCC1)S(=O)(=O)c1cccs1)N1CCNCC1
InChIInChI=1S/C17H28N4O3S2/c22-16(20-10-6-18-7-11-20)15-21(13-12-19-8-2-1-3-9-19)26(23,24)17-5-4-14-25-17/h4-5,14,18H,1-3,6-13,15H2
InChIKeyKQWSPVLBPHZUPP-UHFFFAOYSA-N
MW400.57 g/mol
LogP0.66
Rot. Bonds7

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

N-(2-oxo-2-piperazin-1-ylethyl)-N-(2-piperidin-1-ylethyl)thiophene-2-sulfonamide (PubChem CID 20934420) has the molecular formula C17H28N4O3S2 and a molecular weight of 400.57 g/mol. Its IUPAC name is N-(2-oxo-2-piperazin-1-ylethyl)-N-(2-piperidin-1-ylethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-oxo-2-piperazin-1-ylethyl)-N-(2-piperidin-1-ylethyl)thiophene-2-sulfonamide
PubChem CID20934420
Molecular FormulaC17H28N4O3S2
Molecular Weight400.57 g/mol
Exact Mass400.16
IUPAC NameN-(2-oxo-2-piperazin-1-ylethyl)-N-(2-piperidin-1-ylethyl)thiophene-2-sulfonamide
SMILESO=C(CN(CCN1CCCCC1)S(=O)(=O)c1cccs1)N1CCNCC1
InChIInChI=1S/C17H28N4O3S2/c22-16(20-10-6-18-7-11-20)15-21(13-12-19-8-2-1-3-9-19)26(23,24)17-5-4-14-25-17/h4-5,14,18H,1-3,6-13,15H2
InChIKeyKQWSPVLBPHZUPP-UHFFFAOYSA-N
XLogP0.66
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.57
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methylpropyl)-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-sulfonamide
CID 20934401
4-ethyl-N-(2-oxo-2-piperazin-1-ylethyl)-N-(2-piperidin-1-ylethyl)benzenesulfonamide
CID 50788442
4-ethoxy-N-(2-oxo-2-piperazin-1-ylethyl)-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 50788677
4-(2-methylpropyl)-N-(2-oxo-2-piperazin-1-ylethyl)-N-(2-piperidin-1-ylethyl)benzenesulfonamide;2,2,2-trifluoroacetic acid
CID 146058842
2,5-dimethoxy-N-(2-oxo-2-piperazin-1-ylethyl)-N-(2-piperidin-1-ylethyl)benzenesulfonamide;2,2,2-trifluoroacetic acid
CID 146058827
N-butyl-N-(3-oxo-3-piperazin-1-ylpropyl)thiophene-2-sulfonamide;2,2,2-trifluoroacetic acid
CID 146056690
N-(2-piperidin-1-ylethyl)-N-pyrrolidin-3-ylthiophene-2-sulfonamide;hydrochloride
CID 146065101
2,5-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 50788465
N-(3-oxo-3-piperazin-1-ylpropyl)-N-(2-phenylethyl)thiophene-2-sulfonamide;2,2,2-trifluoroacetic acid
CID 163336465
N-[(4-methylphenyl)methyl]-N-(3-oxo-3-piperazin-1-ylpropyl)thiophene-2-sulfonamide;2,2,2-trifluoroacetic acid
CID 146071274
3-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 50775848
3-methoxy-N-(2-oxo-2-piperazin-1-ylethyl)-N-(2-piperidin-1-ylethyl)benzamide
CID 20934287

Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-2-piperazin-1-ylethyl)-N-(2-piperidin-1-ylethyl)thiophene-2-sulfonamide?
The IUPAC name of N-(2-oxo-2-piperazin-1-ylethyl)-N-(2-piperidin-1-ylethyl)thiophene-2-sulfonamide (CID 20934420) is N-(2-oxo-2-piperazin-1-ylethyl)-N-(2-piperidin-1-ylethyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(2-oxo-2-piperazin-1-ylethyl)-N-(2-piperidin-1-ylethyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(2-oxo-2-piperazin-1-ylethyl)-N-(2-piperidin-1-ylethyl)thiophene-2-sulfonamide is O=C(CN(CCN1CCCCC1)S(=O)(=O)c1cccs1)N1CCNCC1.
What is the InChIKey of N-(2-oxo-2-piperazin-1-ylethyl)-N-(2-piperidin-1-ylethyl)thiophene-2-sulfonamide?
The InChIKey is KQWSPVLBPHZUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3S2/c22-16(20-10-6-18-7-11-20)15-21(13-12-19-8-2-1-3-9-19)26(23,24)17-5-4-14-25-17/h4-5,14,18H,1-3,6-13,15H2.
What are the key properties of N-(2-oxo-2-piperazin-1-ylethyl)-N-(2-piperidin-1-ylethyl)thiophene-2-sulfonamide?
N-(2-oxo-2-piperazin-1-ylethyl)-N-(2-piperidin-1-ylethyl)thiophene-2-sulfonamide has a molecular weight of 400.57 g/mol, XLogP of 0.66, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-2-piperazin-1-ylethyl)-N-(2-piperidin-1-ylethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 20934420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).