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

C15H26N6O3S — CID 92606666

IUPACN,N-dimethyl-4-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]piperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(Cc2ccnc(N3CCOCC3)n2)CC1
InChIInChI=1S/C15H26N6O3S/c1-18(2)25(22,23)21-7-5-19(6-8-21)13-14-3-4-16-15(17-14)20-9-11-24-12-10-20/h3-4H,5-13H2,1-2H3
InChIKeyPSKOLKPBDWNPDL-UHFFFAOYSA-N
MW370.48 g/mol
LogP-0.76
Rot. Bonds5

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

N,N-dimethyl-4-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]piperazine-1-sulfonamide (PubChem CID 92606666) has the molecular formula C15H26N6O3S and a molecular weight of 370.48 g/mol. Its IUPAC name is N,N-dimethyl-4-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]piperazine-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]piperazine-1-sulfonamide
PubChem CID92606666
Molecular FormulaC15H26N6O3S
Molecular Weight370.48 g/mol
Exact Mass370.18
IUPAC NameN,N-dimethyl-4-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]piperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(Cc2ccnc(N3CCOCC3)n2)CC1
InChIInChI=1S/C15H26N6O3S/c1-18(2)25(22,23)21-7-5-19(6-8-21)13-14-3-4-16-15(17-14)20-9-11-24-12-10-20/h3-4H,5-13H2,1-2H3
InChIKeyPSKOLKPBDWNPDL-UHFFFAOYSA-N
XLogP-0.76
TPSA82.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 5-0.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]piperazine-1-sulfonamide?
The IUPAC name of N,N-dimethyl-4-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]piperazine-1-sulfonamide (CID 92606666) is N,N-dimethyl-4-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]piperazine-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-4-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]piperazine-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-4-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]piperazine-1-sulfonamide is CN(C)S(=O)(=O)N1CCN(Cc2ccnc(N3CCOCC3)n2)CC1.
What is the InChIKey of N,N-dimethyl-4-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]piperazine-1-sulfonamide?
The InChIKey is PSKOLKPBDWNPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6O3S/c1-18(2)25(22,23)21-7-5-19(6-8-21)13-14-3-4-16-15(17-14)20-9-11-24-12-10-20/h3-4H,5-13H2,1-2H3.
What are the key properties of N,N-dimethyl-4-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]piperazine-1-sulfonamide?
N,N-dimethyl-4-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]piperazine-1-sulfonamide has a molecular weight of 370.48 g/mol, XLogP of -0.76, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]piperazine-1-sulfonamide is sourced from PubChem (CID 92606666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).