N,N-dimethyl-4-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperazine-1-sulfonamide

C15H26N6O2S — CID 95808509

IUPACN,N-dimethyl-4-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(Cc2ccnc(N3CCCC3)n2)CC1
InChIInChI=1S/C15H26N6O2S/c1-18(2)24(22,23)21-11-9-19(10-12-21)13-14-5-6-16-15(17-14)20-7-3-4-8-20/h5-6H,3-4,7-13H2,1-2H3
InChIKeyMUELNKUXVHYEQU-UHFFFAOYSA-N
MW354.48 g/mol
LogP0.00
Rot. Bonds5

About N,N-dimethyl-4-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperazine-1-sulfonamide

N,N-dimethyl-4-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperazine-1-sulfonamide (PubChem CID 95808509) has the molecular formula C15H26N6O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is N,N-dimethyl-4-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperazine-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperazine-1-sulfonamide
PubChem CID95808509
Molecular FormulaC15H26N6O2S
Molecular Weight354.48 g/mol
Exact Mass354.18
IUPAC NameN,N-dimethyl-4-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(Cc2ccnc(N3CCCC3)n2)CC1
InChIInChI=1S/C15H26N6O2S/c1-18(2)24(22,23)21-11-9-19(10-12-21)13-14-5-6-16-15(17-14)20-7-3-4-8-20/h5-6H,3-4,7-13H2,1-2H3
InChIKeyMUELNKUXVHYEQU-UHFFFAOYSA-N
XLogP0.00
TPSA72.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 50.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperazine-1-sulfonamide?
The IUPAC name of N,N-dimethyl-4-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperazine-1-sulfonamide (CID 95808509) is N,N-dimethyl-4-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperazine-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-4-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperazine-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-4-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperazine-1-sulfonamide is CN(C)S(=O)(=O)N1CCN(Cc2ccnc(N3CCCC3)n2)CC1.
What is the InChIKey of N,N-dimethyl-4-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperazine-1-sulfonamide?
The InChIKey is MUELNKUXVHYEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6O2S/c1-18(2)24(22,23)21-11-9-19(10-12-21)13-14-5-6-16-15(17-14)20-7-3-4-8-20/h5-6H,3-4,7-13H2,1-2H3.
What are the key properties of N,N-dimethyl-4-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperazine-1-sulfonamide?
N,N-dimethyl-4-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperazine-1-sulfonamide has a molecular weight of 354.48 g/mol, XLogP of 0.00, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperazine-1-sulfonamide is sourced from PubChem (CID 95808509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).