4-[2-(1-hydroxyethyl)pyrimidin-4-yl]-N,N-dimethylpiperazine-1-sulfonamide

C12H21N5O3S — CID 11067034

IUPAC4-[2-(1-hydroxyethyl)pyrimidin-4-yl]-N,N-dimethylpiperazine-1-sulfonamide
SMILESCC(O)c1nccc(N2CCN(S(=O)(=O)N(C)C)CC2)n1
InChIInChI=1S/C12H21N5O3S/c1-10(18)12-13-5-4-11(14-12)16-6-8-17(9-7-16)21(19,20)15(2)3/h4-5,10,18H,6-9H2,1-3H3
InChIKeyCALZSMZYNXWGJI-UHFFFAOYSA-N
MW315.40 g/mol
LogP-0.54
Rot. Bonds4

About 4-[2-(1-hydroxyethyl)pyrimidin-4-yl]-N,N-dimethylpiperazine-1-sulfonamide

4-[2-(1-hydroxyethyl)pyrimidin-4-yl]-N,N-dimethylpiperazine-1-sulfonamide (PubChem CID 11067034) has the molecular formula C12H21N5O3S and a molecular weight of 315.40 g/mol. Its IUPAC name is 4-[2-(1-hydroxyethyl)pyrimidin-4-yl]-N,N-dimethylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-[2-(1-hydroxyethyl)pyrimidin-4-yl]-N,N-dimethylpiperazine-1-sulfonamide
PubChem CID11067034
Molecular FormulaC12H21N5O3S
Molecular Weight315.40 g/mol
Exact Mass315.14
IUPAC Name4-[2-(1-hydroxyethyl)pyrimidin-4-yl]-N,N-dimethylpiperazine-1-sulfonamide
SMILESCC(O)c1nccc(N2CCN(S(=O)(=O)N(C)C)CC2)n1
InChIInChI=1S/C12H21N5O3S/c1-10(18)12-13-5-4-11(14-12)16-6-8-17(9-7-16)21(19,20)15(2)3/h4-5,10,18H,6-9H2,1-3H3
InChIKeyCALZSMZYNXWGJI-UHFFFAOYSA-N
XLogP-0.54
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-hydroxyethyl)pyrimidin-4-yl]-N,N-dimethylpiperazine-1-sulfonamide?
The IUPAC name of 4-[2-(1-hydroxyethyl)pyrimidin-4-yl]-N,N-dimethylpiperazine-1-sulfonamide (CID 11067034) is 4-[2-(1-hydroxyethyl)pyrimidin-4-yl]-N,N-dimethylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-[2-(1-hydroxyethyl)pyrimidin-4-yl]-N,N-dimethylpiperazine-1-sulfonamide?
The canonical SMILES for 4-[2-(1-hydroxyethyl)pyrimidin-4-yl]-N,N-dimethylpiperazine-1-sulfonamide is CC(O)c1nccc(N2CCN(S(=O)(=O)N(C)C)CC2)n1.
What is the InChIKey of 4-[2-(1-hydroxyethyl)pyrimidin-4-yl]-N,N-dimethylpiperazine-1-sulfonamide?
The InChIKey is CALZSMZYNXWGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O3S/c1-10(18)12-13-5-4-11(14-12)16-6-8-17(9-7-16)21(19,20)15(2)3/h4-5,10,18H,6-9H2,1-3H3.
What are the key properties of 4-[2-(1-hydroxyethyl)pyrimidin-4-yl]-N,N-dimethylpiperazine-1-sulfonamide?
4-[2-(1-hydroxyethyl)pyrimidin-4-yl]-N,N-dimethylpiperazine-1-sulfonamide has a molecular weight of 315.40 g/mol, XLogP of -0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-hydroxyethyl)pyrimidin-4-yl]-N,N-dimethylpiperazine-1-sulfonamide is sourced from PubChem (CID 11067034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).