8-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-3,3-dimethyl-2,4-dihydropyrimido[1,2-a]indol-10-one

C19H25N3O4S — CID 11639726

IUPAC8-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-3,3-dimethyl-2,4-dihydropyrimido[1,2-a]indol-10-one
SMILESCOC[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)C(=O)C1=NCC(C)(C)CN12
InChIInChI=1S/C19H25N3O4S/c1-19(2)11-20-18-17(23)15-9-14(6-7-16(15)21(18)12-19)27(24,25)22-8-4-5-13(22)10-26-3/h6-7,9,13H,4-5,8,10-12H2,1-3H3/t13-/m1/s1
InChIKeyZOZALKWQMYXXPW-CYBMUJFWSA-N
MW391.49 g/mol
LogP1.93
Rot. Bonds4

About 8-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-3,3-dimethyl-2,4-dihydropyrimido[1,2-a]indol-10-one

8-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-3,3-dimethyl-2,4-dihydropyrimido[1,2-a]indol-10-one (PubChem CID 11639726) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is 8-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-3,3-dimethyl-2,4-dihydropyrimido[1,2-a]indol-10-one.

Molecular Properties

Compound Name8-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-3,3-dimethyl-2,4-dihydropyrimido[1,2-a]indol-10-one
PubChem CID11639726
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC Name8-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-3,3-dimethyl-2,4-dihydropyrimido[1,2-a]indol-10-one
SMILESCOC[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)C(=O)C1=NCC(C)(C)CN12
InChIInChI=1S/C19H25N3O4S/c1-19(2)11-20-18-17(23)15-9-14(6-7-16(15)21(18)12-19)27(24,25)22-8-4-5-13(22)10-26-3/h6-7,9,13H,4-5,8,10-12H2,1-3H3/t13-/m1/s1
InChIKeyZOZALKWQMYXXPW-CYBMUJFWSA-N
XLogP1.93
TPSA79.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-3,3-dimethyl-2,4-dihydropyrimido[1,2-a]indol-10-one?
The IUPAC name of 8-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-3,3-dimethyl-2,4-dihydropyrimido[1,2-a]indol-10-one (CID 11639726) is 8-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-3,3-dimethyl-2,4-dihydropyrimido[1,2-a]indol-10-one.
What is the SMILES notation for 8-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-3,3-dimethyl-2,4-dihydropyrimido[1,2-a]indol-10-one?
The canonical SMILES for 8-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-3,3-dimethyl-2,4-dihydropyrimido[1,2-a]indol-10-one is COC[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)C(=O)C1=NCC(C)(C)CN12.
What is the InChIKey of 8-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-3,3-dimethyl-2,4-dihydropyrimido[1,2-a]indol-10-one?
The InChIKey is ZOZALKWQMYXXPW-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-19(2)11-20-18-17(23)15-9-14(6-7-16(15)21(18)12-19)27(24,25)22-8-4-5-13(22)10-26-3/h6-7,9,13H,4-5,8,10-12H2,1-3H3/t13-/m1/s1.
What are the key properties of 8-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-3,3-dimethyl-2,4-dihydropyrimido[1,2-a]indol-10-one?
8-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-3,3-dimethyl-2,4-dihydropyrimido[1,2-a]indol-10-one has a molecular weight of 391.49 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-3,3-dimethyl-2,4-dihydropyrimido[1,2-a]indol-10-one is sourced from PubChem (CID 11639726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).