N-(6-cyclopropyl-2-pyridinyl)-4-(methylsulfamoyl)piperazine-1-carboxamide

C14H21N5O3S — CID 146092173

IUPACN-(6-cyclopropyl-2-pyridinyl)-4-(methylsulfamoyl)piperazine-1-carboxamide
SMILESCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(C3CC3)n2)CC1
InChIInChI=1S/C14H21N5O3S/c1-15-23(21,22)19-9-7-18(8-10-19)14(20)17-13-4-2-3-12(16-13)11-5-6-11/h2-4,11,15H,5-10H2,1H3,(H,16,17,20)
InChIKeyJWPBZWNOXQAQNJ-UHFFFAOYSA-N
MW339.42 g/mol
LogP0.57
Rot. Bonds4

About N-(6-cyclopropyl-2-pyridinyl)-4-(methylsulfamoyl)piperazine-1-carboxamide

N-(6-cyclopropyl-2-pyridinyl)-4-(methylsulfamoyl)piperazine-1-carboxamide (PubChem CID 146092173) has the molecular formula C14H21N5O3S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-(6-cyclopropyl-2-pyridinyl)-4-(methylsulfamoyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(6-cyclopropyl-2-pyridinyl)-4-(methylsulfamoyl)piperazine-1-carboxamide
PubChem CID146092173
Molecular FormulaC14H21N5O3S
Molecular Weight339.42 g/mol
Exact Mass339.14
IUPAC NameN-(6-cyclopropyl-2-pyridinyl)-4-(methylsulfamoyl)piperazine-1-carboxamide
SMILESCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(C3CC3)n2)CC1
InChIInChI=1S/C14H21N5O3S/c1-15-23(21,22)19-9-7-18(8-10-19)14(20)17-13-4-2-3-12(16-13)11-5-6-11/h2-4,11,15H,5-10H2,1H3,(H,16,17,20)
InChIKeyJWPBZWNOXQAQNJ-UHFFFAOYSA-N
XLogP0.57
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-cyclopropyl-2-pyridinyl)-4-(methylsulfamoyl)piperazine-1-carboxamide?
The IUPAC name of N-(6-cyclopropyl-2-pyridinyl)-4-(methylsulfamoyl)piperazine-1-carboxamide (CID 146092173) is N-(6-cyclopropyl-2-pyridinyl)-4-(methylsulfamoyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(6-cyclopropyl-2-pyridinyl)-4-(methylsulfamoyl)piperazine-1-carboxamide?
The canonical SMILES for N-(6-cyclopropyl-2-pyridinyl)-4-(methylsulfamoyl)piperazine-1-carboxamide is CNS(=O)(=O)N1CCN(C(=O)Nc2cccc(C3CC3)n2)CC1.
What is the InChIKey of N-(6-cyclopropyl-2-pyridinyl)-4-(methylsulfamoyl)piperazine-1-carboxamide?
The InChIKey is JWPBZWNOXQAQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O3S/c1-15-23(21,22)19-9-7-18(8-10-19)14(20)17-13-4-2-3-12(16-13)11-5-6-11/h2-4,11,15H,5-10H2,1H3,(H,16,17,20).
What are the key properties of N-(6-cyclopropyl-2-pyridinyl)-4-(methylsulfamoyl)piperazine-1-carboxamide?
N-(6-cyclopropyl-2-pyridinyl)-4-(methylsulfamoyl)piperazine-1-carboxamide has a molecular weight of 339.42 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-cyclopropyl-2-pyridinyl)-4-(methylsulfamoyl)piperazine-1-carboxamide is sourced from PubChem (CID 146092173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).