N-[2-(4-methylpyrimidin-2-yl)oxyethyl]methanesulfonamide

C8H13N3O3S — CID 123995654

IUPACN-[2-(4-methylpyrimidin-2-yl)oxyethyl]methanesulfonamide
SMILESCc1ccnc(OCCNS(C)(=O)=O)n1
InChIInChI=1S/C8H13N3O3S/c1-7-3-4-9-8(11-7)14-6-5-10-15(2,12)13/h3-4,10H,5-6H2,1-2H3
InChIKeyXUQGCWMSAFCPSC-UHFFFAOYSA-N
MW231.28 g/mol
LogP-0.29
Rot. Bonds5

About N-[2-(4-methylpyrimidin-2-yl)oxyethyl]methanesulfonamide

N-[2-(4-methylpyrimidin-2-yl)oxyethyl]methanesulfonamide (PubChem CID 123995654) has the molecular formula C8H13N3O3S and a molecular weight of 231.28 g/mol. Its IUPAC name is N-[2-(4-methylpyrimidin-2-yl)oxyethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-methylpyrimidin-2-yl)oxyethyl]methanesulfonamide
PubChem CID123995654
Molecular FormulaC8H13N3O3S
Molecular Weight231.28 g/mol
Exact Mass231.07
IUPAC NameN-[2-(4-methylpyrimidin-2-yl)oxyethyl]methanesulfonamide
SMILESCc1ccnc(OCCNS(C)(=O)=O)n1
InChIInChI=1S/C8H13N3O3S/c1-7-3-4-9-8(11-7)14-6-5-10-15(2,12)13/h3-4,10H,5-6H2,1-2H3
InChIKeyXUQGCWMSAFCPSC-UHFFFAOYSA-N
XLogP-0.29
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-Methylpyrimidine-2-sulfonamide
CID 22114194
2-Ethoxy-4-methylpyrimidine
CID 20616759
N-[(2R)-1-methoxypropan-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 167221773
N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]methanesulfonamide
CID 36723270
3-((4-(Trifluoromethyl)pyrimidin-2-yl)amino)propane-1-sulfonamide
CID 47061500
N-(2-morpholin-4-ylsulfonylethyl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 49608246
N-ethyl-N-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propyl]methanesulfonamide
CID 52687670
N-(2-methoxyethyl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 60725723
N-(1-methoxypropan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 60725761
N-[2-(2-methoxyethoxy)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 60759500
N-(2-ethoxyethyl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 60965989
N-(1-ethoxypropan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 61610224

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpyrimidin-2-yl)oxyethyl]methanesulfonamide?
The IUPAC name of N-[2-(4-methylpyrimidin-2-yl)oxyethyl]methanesulfonamide (CID 123995654) is N-[2-(4-methylpyrimidin-2-yl)oxyethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(4-methylpyrimidin-2-yl)oxyethyl]methanesulfonamide?
The canonical SMILES for N-[2-(4-methylpyrimidin-2-yl)oxyethyl]methanesulfonamide is Cc1ccnc(OCCNS(C)(=O)=O)n1.
What is the InChIKey of N-[2-(4-methylpyrimidin-2-yl)oxyethyl]methanesulfonamide?
The InChIKey is XUQGCWMSAFCPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3S/c1-7-3-4-9-8(11-7)14-6-5-10-15(2,12)13/h3-4,10H,5-6H2,1-2H3.
What are the key properties of N-[2-(4-methylpyrimidin-2-yl)oxyethyl]methanesulfonamide?
N-[2-(4-methylpyrimidin-2-yl)oxyethyl]methanesulfonamide has a molecular weight of 231.28 g/mol, XLogP of -0.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpyrimidin-2-yl)oxyethyl]methanesulfonamide is sourced from PubChem (CID 123995654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).