N-[2-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]methanesulfonamide

C11H18N4O3S — CID 45497019

IUPACN-[2-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCOc1cc(N2CCCC2)ncn1
InChIInChI=1S/C11H18N4O3S/c1-19(16,17)14-4-7-18-11-8-10(12-9-13-11)15-5-2-3-6-15/h8-9,14H,2-7H2,1H3
InChIKeyZGYBHAUSLQSYTC-UHFFFAOYSA-N
MW286.36 g/mol
LogP0.00
Rot. Bonds6

About N-[2-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]methanesulfonamide

N-[2-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]methanesulfonamide (PubChem CID 45497019) has the molecular formula C11H18N4O3S and a molecular weight of 286.36 g/mol. Its IUPAC name is N-[2-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]methanesulfonamide
PubChem CID45497019
Molecular FormulaC11H18N4O3S
Molecular Weight286.36 g/mol
Exact Mass286.11
IUPAC NameN-[2-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCOc1cc(N2CCCC2)ncn1
InChIInChI=1S/C11H18N4O3S/c1-19(16,17)14-4-7-18-11-8-10(12-9-13-11)15-5-2-3-6-15/h8-9,14H,2-7H2,1H3
InChIKeyZGYBHAUSLQSYTC-UHFFFAOYSA-N
XLogP0.00
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(2,5-dimethylphenoxy)-N-[2-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]propanamide
CID 51868113
N-[2-[(3aR,7aS)-5-(6-methoxypyrimidin-4-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]ethyl]methanesulfonamide
CID 124798958
2-methoxy-4-methyl-N-[2-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]benzenesulfonamide
CID 90492477
N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]pyrrolidine-1-sulfonamide
CID 122327764
1-(6-piperidin-1-ylpyrimidin-4-yl)azepane
CID 112856077
4-[3-(5-methylpyrazol-1-yl)propoxy]-6-piperidin-1-ylpyrimidine
CID 166635102
4-tert-butyl-N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]benzenesulfonamide
CID 90492572
4-methyl-3,5-dinitro-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 122327789
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[2-(6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]piperidine-4-carboxamide
CID 90520452
N-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-N-ethylmethanesulfonamide
CID 133464534
N-methyl-1-[1-(6-propoxypyrimidin-4-yl)piperidin-4-yl]methanamine
CID 66332385
4-(4-methylphenoxy)-6-pyrrolidin-1-ylpyrimidine
CID 91633793

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]methanesulfonamide?
The IUPAC name of N-[2-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]methanesulfonamide (CID 45497019) is N-[2-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]methanesulfonamide?
The canonical SMILES for N-[2-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]methanesulfonamide is CS(=O)(=O)NCCOc1cc(N2CCCC2)ncn1.
What is the InChIKey of N-[2-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]methanesulfonamide?
The InChIKey is ZGYBHAUSLQSYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3S/c1-19(16,17)14-4-7-18-11-8-10(12-9-13-11)15-5-2-3-6-15/h8-9,14H,2-7H2,1H3.
What are the key properties of N-[2-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]methanesulfonamide?
N-[2-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]methanesulfonamide has a molecular weight of 286.36 g/mol, XLogP of 0.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]methanesulfonamide is sourced from PubChem (CID 45497019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).