4-(5-hydroxypyrimidin-2-yl)-N,N-dimethylpiperazine-1-sulfonamide

C10H17N5O3S — CID 25269412

IUPAC4-(5-hydroxypyrimidin-2-yl)-N,N-dimethylpiperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(c2ncc(O)cn2)CC1
InChIInChI=1S/C10H17N5O3S/c1-13(2)19(17,18)15-5-3-14(4-6-15)10-11-7-9(16)8-12-10/h7-8,16H,3-6H2,1-2H3
InChIKeyANWUPPMJJNWTPN-UHFFFAOYSA-N
MW287.34 g/mol
LogP-0.89
Rot. Bonds3

About 4-(5-hydroxypyrimidin-2-yl)-N,N-dimethylpiperazine-1-sulfonamide

4-(5-hydroxypyrimidin-2-yl)-N,N-dimethylpiperazine-1-sulfonamide (PubChem CID 25269412) has the molecular formula C10H17N5O3S and a molecular weight of 287.34 g/mol. Its IUPAC name is 4-(5-hydroxypyrimidin-2-yl)-N,N-dimethylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(5-hydroxypyrimidin-2-yl)-N,N-dimethylpiperazine-1-sulfonamide
PubChem CID25269412
Molecular FormulaC10H17N5O3S
Molecular Weight287.34 g/mol
Exact Mass287.11
IUPAC Name4-(5-hydroxypyrimidin-2-yl)-N,N-dimethylpiperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(c2ncc(O)cn2)CC1
InChIInChI=1S/C10H17N5O3S/c1-13(2)19(17,18)15-5-3-14(4-6-15)10-11-7-9(16)8-12-10/h7-8,16H,3-6H2,1-2H3
InChIKeyANWUPPMJJNWTPN-UHFFFAOYSA-N
XLogP-0.89
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 5-0.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(5-hydroxypyrimidin-2-yl)-N,N-dimethylpiperazine-1-sulfonamide?
The IUPAC name of 4-(5-hydroxypyrimidin-2-yl)-N,N-dimethylpiperazine-1-sulfonamide (CID 25269412) is 4-(5-hydroxypyrimidin-2-yl)-N,N-dimethylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-(5-hydroxypyrimidin-2-yl)-N,N-dimethylpiperazine-1-sulfonamide?
The canonical SMILES for 4-(5-hydroxypyrimidin-2-yl)-N,N-dimethylpiperazine-1-sulfonamide is CN(C)S(=O)(=O)N1CCN(c2ncc(O)cn2)CC1.
What is the InChIKey of 4-(5-hydroxypyrimidin-2-yl)-N,N-dimethylpiperazine-1-sulfonamide?
The InChIKey is ANWUPPMJJNWTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O3S/c1-13(2)19(17,18)15-5-3-14(4-6-15)10-11-7-9(16)8-12-10/h7-8,16H,3-6H2,1-2H3.
What are the key properties of 4-(5-hydroxypyrimidin-2-yl)-N,N-dimethylpiperazine-1-sulfonamide?
4-(5-hydroxypyrimidin-2-yl)-N,N-dimethylpiperazine-1-sulfonamide has a molecular weight of 287.34 g/mol, XLogP of -0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-hydroxypyrimidin-2-yl)-N,N-dimethylpiperazine-1-sulfonamide is sourced from PubChem (CID 25269412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).