N-(thiolan-2-ylmethyl)-4-(thiophene-2-carbonyl)piperazine-1-carboxamide

C15H21N3O2S2 — CID 127453190

IUPACN-(thiolan-2-ylmethyl)-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
SMILESO=C(NCC1CCCS1)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C15H21N3O2S2/c19-14(13-4-2-10-22-13)17-5-7-18(8-6-17)15(20)16-11-12-3-1-9-21-12/h2,4,10,12H,1,3,5-9,11H2,(H,16,20)
InChIKeyFPHUBFRITOAMTM-UHFFFAOYSA-N
MW339.49 g/mol
LogP2.11
Rot. Bonds3

About N-(thiolan-2-ylmethyl)-4-(thiophene-2-carbonyl)piperazine-1-carboxamide

N-(thiolan-2-ylmethyl)-4-(thiophene-2-carbonyl)piperazine-1-carboxamide (PubChem CID 127453190) has the molecular formula C15H21N3O2S2 and a molecular weight of 339.49 g/mol. Its IUPAC name is N-(thiolan-2-ylmethyl)-4-(thiophene-2-carbonyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(thiolan-2-ylmethyl)-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
PubChem CID127453190
Molecular FormulaC15H21N3O2S2
Molecular Weight339.49 g/mol
Exact Mass339.11
IUPAC NameN-(thiolan-2-ylmethyl)-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
SMILESO=C(NCC1CCCS1)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C15H21N3O2S2/c19-14(13-4-2-10-22-13)17-5-7-18(8-6-17)15(20)16-11-12-3-1-9-21-12/h2,4,10,12H,1,3,5-9,11H2,(H,16,20)
InChIKeyFPHUBFRITOAMTM-UHFFFAOYSA-N
XLogP2.11
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.49
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(thiolan-2-ylmethyl)-4-(thiophene-2-carbonyl)piperazine-1-carboxamide?
The IUPAC name of N-(thiolan-2-ylmethyl)-4-(thiophene-2-carbonyl)piperazine-1-carboxamide (CID 127453190) is N-(thiolan-2-ylmethyl)-4-(thiophene-2-carbonyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(thiolan-2-ylmethyl)-4-(thiophene-2-carbonyl)piperazine-1-carboxamide?
The canonical SMILES for N-(thiolan-2-ylmethyl)-4-(thiophene-2-carbonyl)piperazine-1-carboxamide is O=C(NCC1CCCS1)N1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of N-(thiolan-2-ylmethyl)-4-(thiophene-2-carbonyl)piperazine-1-carboxamide?
The InChIKey is FPHUBFRITOAMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S2/c19-14(13-4-2-10-22-13)17-5-7-18(8-6-17)15(20)16-11-12-3-1-9-21-12/h2,4,10,12H,1,3,5-9,11H2,(H,16,20).
What are the key properties of N-(thiolan-2-ylmethyl)-4-(thiophene-2-carbonyl)piperazine-1-carboxamide?
N-(thiolan-2-ylmethyl)-4-(thiophene-2-carbonyl)piperazine-1-carboxamide has a molecular weight of 339.49 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiolan-2-ylmethyl)-4-(thiophene-2-carbonyl)piperazine-1-carboxamide is sourced from PubChem (CID 127453190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).