2-methoxy-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrimidine-5-carboxamide

C12H18N4O4S — CID 119066087

IUPAC2-methoxy-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrimidine-5-carboxamide
SMILESCOc1ncc(C(=O)NCCS(=O)(=O)N2CCCC2)cn1
InChIInChI=1S/C12H18N4O4S/c1-20-12-14-8-10(9-15-12)11(17)13-4-7-21(18,19)16-5-2-3-6-16/h8-9H,2-7H2,1H3,(H,13,17)
InChIKeyYZCRAMQUFPGHAD-UHFFFAOYSA-N
MW314.37 g/mol
LogP-0.36
Rot. Bonds6

About 2-methoxy-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrimidine-5-carboxamide

2-methoxy-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrimidine-5-carboxamide (PubChem CID 119066087) has the molecular formula C12H18N4O4S and a molecular weight of 314.37 g/mol. Its IUPAC name is 2-methoxy-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-methoxy-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrimidine-5-carboxamide
PubChem CID119066087
Molecular FormulaC12H18N4O4S
Molecular Weight314.37 g/mol
Exact Mass314.10
IUPAC Name2-methoxy-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrimidine-5-carboxamide
SMILESCOc1ncc(C(=O)NCCS(=O)(=O)N2CCCC2)cn1
InChIInChI=1S/C12H18N4O4S/c1-20-12-14-8-10(9-15-12)11(17)13-4-7-21(18,19)16-5-2-3-6-16/h8-9H,2-7H2,1H3,(H,13,17)
InChIKeyYZCRAMQUFPGHAD-UHFFFAOYSA-N
XLogP-0.36
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethyl-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrimidine-5-carboxamide
CID 72876019
N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-2-methoxypyrimidine-5-carboxamide
CID 126434930
N-[2-(4-ethylpiperazin-1-yl)sulfonylethyl]-3,4,5-trimethoxybenzamide
CID 16881351
3,4-difluoro-N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide
CID 110345378
N-(2-pyrrolidin-1-ylsulfonylethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxamide
CID 136567327
methyl 1-[2-[(3,4-dimethoxybenzoyl)amino]ethylsulfonyl]piperidine-4-carboxylate
CID 7618747
1-benzyl-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrazole-4-carboxamide
CID 74230410
2-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide
CID 110345334
N-[2-(azepan-1-ylsulfonyl)ethyl]-3-chlorobenzamide
CID 110346034
2-(3,4-dimethoxyphenyl)-N-(2-piperidin-1-ylsulfonylethyl)acetamide
CID 110287567
4-(3-hydroxy-3-methylbutyl)-N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide
CID 56909604
N-[2-(azepan-1-ylsulfonyl)ethyl]-2-methylbenzamide
CID 110346004

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-methoxy-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrimidine-5-carboxamide (CID 119066087) is 2-methoxy-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-methoxy-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-methoxy-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrimidine-5-carboxamide is COc1ncc(C(=O)NCCS(=O)(=O)N2CCCC2)cn1.
What is the InChIKey of 2-methoxy-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrimidine-5-carboxamide?
The InChIKey is YZCRAMQUFPGHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4S/c1-20-12-14-8-10(9-15-12)11(17)13-4-7-21(18,19)16-5-2-3-6-16/h8-9H,2-7H2,1H3,(H,13,17).
What are the key properties of 2-methoxy-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrimidine-5-carboxamide?
2-methoxy-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrimidine-5-carboxamide has a molecular weight of 314.37 g/mol, XLogP of -0.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 119066087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).