N-[2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]ethyl]thiophene-2-carboxamide

C16H20N3O2S2+ — CID 4230629

IUPACN-[2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]ethyl]thiophene-2-carboxamide
SMILESO=C(NCC[NH+]1CCN(C(=O)c2cccs2)CC1)c1cccs1
InChIInChI=1S/C16H19N3O2S2/c20-15(13-3-1-11-22-13)17-5-6-18-7-9-19(10-8-18)16(21)14-4-2-12-23-14/h1-4,11-12H,5-10H2,(H,17,20)/p+1
InChIKeyBOXSLRBGWLCOMK-UHFFFAOYSA-O
MW350.49 g/mol
LogP0.58
Rot. Bonds5

About N-[2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]ethyl]thiophene-2-carboxamide

N-[2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]ethyl]thiophene-2-carboxamide (PubChem CID 4230629) has the molecular formula C16H20N3O2S2+ and a molecular weight of 350.49 g/mol. Its IUPAC name is N-[2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]ethyl]thiophene-2-carboxamide
PubChem CID4230629
Molecular FormulaC16H20N3O2S2+
Molecular Weight350.49 g/mol
Exact Mass350.10
IUPAC NameN-[2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]ethyl]thiophene-2-carboxamide
SMILESO=C(NCC[NH+]1CCN(C(=O)c2cccs2)CC1)c1cccs1
InChIInChI=1S/C16H19N3O2S2/c20-15(13-3-1-11-22-13)17-5-6-18-7-9-19(10-8-18)16(21)14-4-2-12-23-14/h1-4,11-12H,5-10H2,(H,17,20)/p+1
InChIKeyBOXSLRBGWLCOMK-UHFFFAOYSA-O
XLogP0.58
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-morpholin-4-ium-4-ylethyl)thiophene-2-carboxamide
CID 6949050
(4-ethylpiperazin-4-ium-1-yl)-thiophen-2-ylmethanone
CID 6965529
[4-(2-phenylethyl)piperazin-4-ium-1-yl]-thiophen-2-ylmethanone
CID 7162031
[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-thiophen-2-ylmethanone
CID 4744215
N-(2-aminoethyl)thiophene-2-carboxamide
CID 4649097
N-[3-oxo-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]propyl]benzamide
CID 18115079
(3aS,7aS)-2-[[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 9331345
(3aR,7aS)-2-[[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 9331329
(3aS,7aR)-2-[[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 9331281
(4-methanidyl-1,4-diazepan-4-ium-1-yl)-thiophen-2-ylmethanone
CID 20723386
[4-[(3-sulfanylidene-5-thiophen-2-yl-1H-1,2,4-triazol-2-yl)methyl]piperazin-4-ium-1-yl]-thiophen-2-ylmethanone
CID 9331101
N-cyclopropyl-2-[[2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide
CID 9266837

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]ethyl]thiophene-2-carboxamide (CID 4230629) is N-[2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]ethyl]thiophene-2-carboxamide is O=C(NCC[NH+]1CCN(C(=O)c2cccs2)CC1)c1cccs1.
What is the InChIKey of N-[2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]ethyl]thiophene-2-carboxamide?
The InChIKey is BOXSLRBGWLCOMK-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H19N3O2S2/c20-15(13-3-1-11-22-13)17-5-6-18-7-9-19(10-8-18)16(21)14-4-2-12-23-14/h1-4,11-12H,5-10H2,(H,17,20)/p+1.
What are the key properties of N-[2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]ethyl]thiophene-2-carboxamide?
N-[2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]ethyl]thiophene-2-carboxamide has a molecular weight of 350.49 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 4230629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).