N-cyclopropyl-N-(thiophen-2-ylmethyl)piperazine-1-sulfonamide

C12H19N3O2S2 — CID 61253694

IUPACN-cyclopropyl-N-(thiophen-2-ylmethyl)piperazine-1-sulfonamide
SMILESO=S(=O)(N1CCNCC1)N(Cc1cccs1)C1CC1
InChIInChI=1S/C12H19N3O2S2/c16-19(17,14-7-5-13-6-8-14)15(11-3-4-11)10-12-2-1-9-18-12/h1-2,9,11,13H,3-8,10H2
InChIKeyAZNODWHQMMDSME-UHFFFAOYSA-N
MW301.44 g/mol
LogP0.86
Rot. Bonds5

About N-cyclopropyl-N-(thiophen-2-ylmethyl)piperazine-1-sulfonamide

N-cyclopropyl-N-(thiophen-2-ylmethyl)piperazine-1-sulfonamide (PubChem CID 61253694) has the molecular formula C12H19N3O2S2 and a molecular weight of 301.44 g/mol. Its IUPAC name is N-cyclopropyl-N-(thiophen-2-ylmethyl)piperazine-1-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(thiophen-2-ylmethyl)piperazine-1-sulfonamide
PubChem CID61253694
Molecular FormulaC12H19N3O2S2
Molecular Weight301.44 g/mol
Exact Mass301.09
IUPAC NameN-cyclopropyl-N-(thiophen-2-ylmethyl)piperazine-1-sulfonamide
SMILESO=S(=O)(N1CCNCC1)N(Cc1cccs1)C1CC1
InChIInChI=1S/C12H19N3O2S2/c16-19(17,14-7-5-13-6-8-14)15(11-3-4-11)10-12-2-1-9-18-12/h1-2,9,11,13H,3-8,10H2
InChIKeyAZNODWHQMMDSME-UHFFFAOYSA-N
XLogP0.86
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.44
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(thiophen-2-ylmethyl)piperazine-1-sulfonamide?
The IUPAC name of N-cyclopropyl-N-(thiophen-2-ylmethyl)piperazine-1-sulfonamide (CID 61253694) is N-cyclopropyl-N-(thiophen-2-ylmethyl)piperazine-1-sulfonamide.
What is the SMILES notation for N-cyclopropyl-N-(thiophen-2-ylmethyl)piperazine-1-sulfonamide?
The canonical SMILES for N-cyclopropyl-N-(thiophen-2-ylmethyl)piperazine-1-sulfonamide is O=S(=O)(N1CCNCC1)N(Cc1cccs1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(thiophen-2-ylmethyl)piperazine-1-sulfonamide?
The InChIKey is AZNODWHQMMDSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S2/c16-19(17,14-7-5-13-6-8-14)15(11-3-4-11)10-12-2-1-9-18-12/h1-2,9,11,13H,3-8,10H2.
What are the key properties of N-cyclopropyl-N-(thiophen-2-ylmethyl)piperazine-1-sulfonamide?
N-cyclopropyl-N-(thiophen-2-ylmethyl)piperazine-1-sulfonamide has a molecular weight of 301.44 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(thiophen-2-ylmethyl)piperazine-1-sulfonamide is sourced from PubChem (CID 61253694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).