N-[5-(1-hydroxyethyl)pyrimidin-2-yl]methanesulfonamide

C7H11N3O3S — CID 71230504

IUPACN-[5-(1-hydroxyethyl)pyrimidin-2-yl]methanesulfonamide
SMILESCC(O)c1cnc(NS(C)(=O)=O)nc1
InChIInChI=1S/C7H11N3O3S/c1-5(11)6-3-8-7(9-4-6)10-14(2,12)13/h3-5,11H,1-2H3,(H,8,9,10)
InChIKeyQCDGANBKTUAUDA-UHFFFAOYSA-N
MW217.25 g/mol
LogP-0.10
Rot. Bonds3

About N-[5-(1-hydroxyethyl)pyrimidin-2-yl]methanesulfonamide

N-[5-(1-hydroxyethyl)pyrimidin-2-yl]methanesulfonamide (PubChem CID 71230504) has the molecular formula C7H11N3O3S and a molecular weight of 217.25 g/mol. Its IUPAC name is N-[5-(1-hydroxyethyl)pyrimidin-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-(1-hydroxyethyl)pyrimidin-2-yl]methanesulfonamide
PubChem CID71230504
Molecular FormulaC7H11N3O3S
Molecular Weight217.25 g/mol
Exact Mass217.05
IUPAC NameN-[5-(1-hydroxyethyl)pyrimidin-2-yl]methanesulfonamide
SMILESCC(O)c1cnc(NS(C)(=O)=O)nc1
InChIInChI=1S/C7H11N3O3S/c1-5(11)6-3-8-7(9-4-6)10-14(2,12)13/h3-5,11H,1-2H3,(H,8,9,10)
InChIKeyQCDGANBKTUAUDA-UHFFFAOYSA-N
XLogP-0.10
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1-hydroxyethyl)pyrimidin-2-yl]methanesulfonamide?
The IUPAC name of N-[5-(1-hydroxyethyl)pyrimidin-2-yl]methanesulfonamide (CID 71230504) is N-[5-(1-hydroxyethyl)pyrimidin-2-yl]methanesulfonamide.
What is the SMILES notation for N-[5-(1-hydroxyethyl)pyrimidin-2-yl]methanesulfonamide?
The canonical SMILES for N-[5-(1-hydroxyethyl)pyrimidin-2-yl]methanesulfonamide is CC(O)c1cnc(NS(C)(=O)=O)nc1.
What is the InChIKey of N-[5-(1-hydroxyethyl)pyrimidin-2-yl]methanesulfonamide?
The InChIKey is QCDGANBKTUAUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O3S/c1-5(11)6-3-8-7(9-4-6)10-14(2,12)13/h3-5,11H,1-2H3,(H,8,9,10).
What are the key properties of N-[5-(1-hydroxyethyl)pyrimidin-2-yl]methanesulfonamide?
N-[5-(1-hydroxyethyl)pyrimidin-2-yl]methanesulfonamide has a molecular weight of 217.25 g/mol, XLogP of -0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-hydroxyethyl)pyrimidin-2-yl]methanesulfonamide is sourced from PubChem (CID 71230504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).