N,N-dimethyl-1-(2-methylpyrimidin-4-yl)piperazine-2-sulfonamide

C11H19N5O2S — CID 19883994

IUPACN,N-dimethyl-1-(2-methylpyrimidin-4-yl)piperazine-2-sulfonamide
SMILESCc1nccc(N2CCNCC2S(=O)(=O)N(C)C)n1
InChIInChI=1S/C11H19N5O2S/c1-9-13-5-4-10(14-9)16-7-6-12-8-11(16)19(17,18)15(2)3/h4-5,11-12H,6-8H2,1-3H3
InChIKeyORQSWKYWXKIVEI-UHFFFAOYSA-N
MW285.37 g/mol
LogP-0.59
Rot. Bonds3

About N,N-dimethyl-1-(2-methylpyrimidin-4-yl)piperazine-2-sulfonamide

N,N-dimethyl-1-(2-methylpyrimidin-4-yl)piperazine-2-sulfonamide (PubChem CID 19883994) has the molecular formula C11H19N5O2S and a molecular weight of 285.37 g/mol. Its IUPAC name is N,N-dimethyl-1-(2-methylpyrimidin-4-yl)piperazine-2-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-1-(2-methylpyrimidin-4-yl)piperazine-2-sulfonamide
PubChem CID19883994
Molecular FormulaC11H19N5O2S
Molecular Weight285.37 g/mol
Exact Mass285.13
IUPAC NameN,N-dimethyl-1-(2-methylpyrimidin-4-yl)piperazine-2-sulfonamide
SMILESCc1nccc(N2CCNCC2S(=O)(=O)N(C)C)n1
InChIInChI=1S/C11H19N5O2S/c1-9-13-5-4-10(14-9)16-7-6-12-8-11(16)19(17,18)15(2)3/h4-5,11-12H,6-8H2,1-3H3
InChIKeyORQSWKYWXKIVEI-UHFFFAOYSA-N
XLogP-0.59
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(2-methylpyrimidin-4-yl)piperazine-2-sulfonamide?
The IUPAC name of N,N-dimethyl-1-(2-methylpyrimidin-4-yl)piperazine-2-sulfonamide (CID 19883994) is N,N-dimethyl-1-(2-methylpyrimidin-4-yl)piperazine-2-sulfonamide.
What is the SMILES notation for N,N-dimethyl-1-(2-methylpyrimidin-4-yl)piperazine-2-sulfonamide?
The canonical SMILES for N,N-dimethyl-1-(2-methylpyrimidin-4-yl)piperazine-2-sulfonamide is Cc1nccc(N2CCNCC2S(=O)(=O)N(C)C)n1.
What is the InChIKey of N,N-dimethyl-1-(2-methylpyrimidin-4-yl)piperazine-2-sulfonamide?
The InChIKey is ORQSWKYWXKIVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2S/c1-9-13-5-4-10(14-9)16-7-6-12-8-11(16)19(17,18)15(2)3/h4-5,11-12H,6-8H2,1-3H3.
What are the key properties of N,N-dimethyl-1-(2-methylpyrimidin-4-yl)piperazine-2-sulfonamide?
N,N-dimethyl-1-(2-methylpyrimidin-4-yl)piperazine-2-sulfonamide has a molecular weight of 285.37 g/mol, XLogP of -0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(2-methylpyrimidin-4-yl)piperazine-2-sulfonamide is sourced from PubChem (CID 19883994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).