N-(oxan-3-ylmethylsulfonyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide

C13H19N3O4S — CID 138001801

IUPACN-(oxan-3-ylmethylsulfonyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide
SMILESO=C(NS(=O)(=O)CC1CCCOC1)c1cn2c(n1)CCC2
InChIInChI=1S/C13H19N3O4S/c17-13(11-7-16-5-1-4-12(16)14-11)15-21(18,19)9-10-3-2-6-20-8-10/h7,10H,1-6,8-9H2,(H,15,17)
InChIKeyCFTPJOUEZJMNBA-UHFFFAOYSA-N
MW313.38 g/mol
LogP0.32
Rot. Bonds4

About N-(oxan-3-ylmethylsulfonyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide

N-(oxan-3-ylmethylsulfonyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide (PubChem CID 138001801) has the molecular formula C13H19N3O4S and a molecular weight of 313.38 g/mol. Its IUPAC name is N-(oxan-3-ylmethylsulfonyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide.

Molecular Properties

Compound NameN-(oxan-3-ylmethylsulfonyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide
PubChem CID138001801
Molecular FormulaC13H19N3O4S
Molecular Weight313.38 g/mol
Exact Mass313.11
IUPAC NameN-(oxan-3-ylmethylsulfonyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide
SMILESO=C(NS(=O)(=O)CC1CCCOC1)c1cn2c(n1)CCC2
InChIInChI=1S/C13H19N3O4S/c17-13(11-7-16-5-1-4-12(16)14-11)15-21(18,19)9-10-3-2-6-20-8-10/h7,10H,1-6,8-9H2,(H,15,17)
InChIKeyCFTPJOUEZJMNBA-UHFFFAOYSA-N
XLogP0.32
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-cyclohexyl-1-methyl-N-(oxan-3-ylmethylsulfonyl)pyrazole-4-carboxamide
CID 136542046
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CID 119033627
N-[[(3R)-oxolan-3-yl]methylsulfonyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 99704181
ethane;N-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 145225752
N-[[(3S)-oxolan-3-yl]methylsulfonyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 99704126
2-(oxan-3-ylmethylcarbamoyl)-1,3-thiazole-4-carboxylic acid
CID 116696975
N-[[4-[3-(1-methoxyethyl)-1,2,4-thiadiazol-5-yl]morpholin-3-yl]methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide
CID 138048609
1-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carbonylamino)urea
CID 167876750
N-[[1-[2-(methanesulfonamido)-3-methylbutanoyl]-3-methylpyrrolidin-2-yl]methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide
CID 167885320
5-cyclopropyl-N-(oxolan-3-ylmethylsulfonyl)-2-phenyl-1,3-oxazole-4-carboxamide
CID 102560873
2-(oxolan-2-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)ethanesulfonamide
CID 128996643
N-[(3aR,7aS)-2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carbonyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]acetamide
CID 167750474

Frequently Asked Questions

What is the IUPAC name of N-(oxan-3-ylmethylsulfonyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide?
The IUPAC name of N-(oxan-3-ylmethylsulfonyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide (CID 138001801) is N-(oxan-3-ylmethylsulfonyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide.
What is the SMILES notation for N-(oxan-3-ylmethylsulfonyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide?
The canonical SMILES for N-(oxan-3-ylmethylsulfonyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide is O=C(NS(=O)(=O)CC1CCCOC1)c1cn2c(n1)CCC2.
What is the InChIKey of N-(oxan-3-ylmethylsulfonyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide?
The InChIKey is CFTPJOUEZJMNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S/c17-13(11-7-16-5-1-4-12(16)14-11)15-21(18,19)9-10-3-2-6-20-8-10/h7,10H,1-6,8-9H2,(H,15,17).
What are the key properties of N-(oxan-3-ylmethylsulfonyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide?
N-(oxan-3-ylmethylsulfonyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide has a molecular weight of 313.38 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-3-ylmethylsulfonyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide is sourced from PubChem (CID 138001801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).