N-cyclohexyl-N-methyl-4-pyrimidin-2-ylpiperazine-1-sulfonamide

C15H25N5O2S — CID 39999051

IUPACN-cyclohexyl-N-methyl-4-pyrimidin-2-ylpiperazine-1-sulfonamide
SMILESCN(C1CCCCC1)S(=O)(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C15H25N5O2S/c1-18(14-6-3-2-4-7-14)23(21,22)20-12-10-19(11-13-20)15-16-8-5-9-17-15/h5,8-9,14H,2-4,6-7,10-13H2,1H3
InChIKeyZAGDQMQVRHHEEH-UHFFFAOYSA-N
MW339.47 g/mol
LogP1.11
Rot. Bonds4

About N-cyclohexyl-N-methyl-4-pyrimidin-2-ylpiperazine-1-sulfonamide

N-cyclohexyl-N-methyl-4-pyrimidin-2-ylpiperazine-1-sulfonamide (PubChem CID 39999051) has the molecular formula C15H25N5O2S and a molecular weight of 339.47 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-4-pyrimidin-2-ylpiperazine-1-sulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-4-pyrimidin-2-ylpiperazine-1-sulfonamide
PubChem CID39999051
Molecular FormulaC15H25N5O2S
Molecular Weight339.47 g/mol
Exact Mass339.17
IUPAC NameN-cyclohexyl-N-methyl-4-pyrimidin-2-ylpiperazine-1-sulfonamide
SMILESCN(C1CCCCC1)S(=O)(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C15H25N5O2S/c1-18(14-6-3-2-4-7-14)23(21,22)20-12-10-19(11-13-20)15-16-8-5-9-17-15/h5,8-9,14H,2-4,6-7,10-13H2,1H3
InChIKeyZAGDQMQVRHHEEH-UHFFFAOYSA-N
XLogP1.11
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.47
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-4-pyrimidin-2-ylpiperazine-1-sulfonamide?
The IUPAC name of N-cyclohexyl-N-methyl-4-pyrimidin-2-ylpiperazine-1-sulfonamide (CID 39999051) is N-cyclohexyl-N-methyl-4-pyrimidin-2-ylpiperazine-1-sulfonamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-4-pyrimidin-2-ylpiperazine-1-sulfonamide?
The canonical SMILES for N-cyclohexyl-N-methyl-4-pyrimidin-2-ylpiperazine-1-sulfonamide is CN(C1CCCCC1)S(=O)(=O)N1CCN(c2ncccn2)CC1.
What is the InChIKey of N-cyclohexyl-N-methyl-4-pyrimidin-2-ylpiperazine-1-sulfonamide?
The InChIKey is ZAGDQMQVRHHEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2S/c1-18(14-6-3-2-4-7-14)23(21,22)20-12-10-19(11-13-20)15-16-8-5-9-17-15/h5,8-9,14H,2-4,6-7,10-13H2,1H3.
What are the key properties of N-cyclohexyl-N-methyl-4-pyrimidin-2-ylpiperazine-1-sulfonamide?
N-cyclohexyl-N-methyl-4-pyrimidin-2-ylpiperazine-1-sulfonamide has a molecular weight of 339.47 g/mol, XLogP of 1.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-4-pyrimidin-2-ylpiperazine-1-sulfonamide is sourced from PubChem (CID 39999051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).