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

C24H34N4O3S — CID 11576187

IUPAC8-[(2S)-2-[(cyclohexylamino)methyl]pyrrolidin-1-yl]sulfonyl-3,3-dimethyl-2,4-dihydropyrimido[1,2-a]indol-10-one
SMILESCC1(C)CN=C2C(=O)c3cc(S(=O)(=O)N4CCC[C@H]4CNC4CCCCC4)ccc3N2C1
InChIInChI=1S/C24H34N4O3S/c1-24(2)15-26-23-22(29)20-13-19(10-11-21(20)27(23)16-24)32(30,31)28-12-6-9-18(28)14-25-17-7-4-3-5-8-17/h10-11,13,17-18,25H,3-9,12,14-16H2,1-2H3/t18-/m0/s1
InChIKeyJUQKZWOQTMDWNU-SFHVURJKSA-N
MW458.63 g/mol
LogP3.20
Rot. Bonds5

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

8-[(2S)-2-[(cyclohexylamino)methyl]pyrrolidin-1-yl]sulfonyl-3,3-dimethyl-2,4-dihydropyrimido[1,2-a]indol-10-one (PubChem CID 11576187) has the molecular formula C24H34N4O3S and a molecular weight of 458.63 g/mol. Its IUPAC name is 8-[(2S)-2-[(cyclohexylamino)methyl]pyrrolidin-1-yl]sulfonyl-3,3-dimethyl-2,4-dihydropyrimido[1,2-a]indol-10-one.

Molecular Properties

Compound Name8-[(2S)-2-[(cyclohexylamino)methyl]pyrrolidin-1-yl]sulfonyl-3,3-dimethyl-2,4-dihydropyrimido[1,2-a]indol-10-one
PubChem CID11576187
Molecular FormulaC24H34N4O3S
Molecular Weight458.63 g/mol
Exact Mass458.24
IUPAC Name8-[(2S)-2-[(cyclohexylamino)methyl]pyrrolidin-1-yl]sulfonyl-3,3-dimethyl-2,4-dihydropyrimido[1,2-a]indol-10-one
SMILESCC1(C)CN=C2C(=O)c3cc(S(=O)(=O)N4CCC[C@H]4CNC4CCCCC4)ccc3N2C1
InChIInChI=1S/C24H34N4O3S/c1-24(2)15-26-23-22(29)20-13-19(10-11-21(20)27(23)16-24)32(30,31)28-12-6-9-18(28)14-25-17-7-4-3-5-8-17/h10-11,13,17-18,25H,3-9,12,14-16H2,1-2H3/t18-/m0/s1
InChIKeyJUQKZWOQTMDWNU-SFHVURJKSA-N
XLogP3.20
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.63
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-[(2S)-2-[(cyclohexylamino)methyl]pyrrolidin-1-yl]sulfonyl-3,3-dimethyl-2,4-dihydropyrimido[1,2-a]indol-10-one with MolForge

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Related Compounds

Isatin Sulfonamide 26
CID 9800285
Pyrimidoindolone, 25a
CID 11495091
Pyrimidoindolone, 22b
CID 11501937
Pyrimidoindolone, 22c
CID 11503023
Pyrimidoindolone, 25c
CID 11567908
Pyrimidoindolone, 14a
CID 11590421
Pyrimidoindolone, 25e
CID 11611743
Pyrimidoindolone, 14b
CID 11649267
8-{[(2S)-2-(Methoxymethyl)pyrrolidin-1-yl]sulfonyl}-3,3-dimethyl-3,4-dihydropyrimido[1,2-a]indol-10(2H)-one
CID 11661117
N-(3,3-Dimethyl-10-oxo-2,3,4,10-tetrahydropyrimido[1,2-a]indol-8-yl)benzenesulfonamide
CID 11682171
Pyrimidoindolone, 22h
CID 11682504
Isatin Sulfonamide 28
CID 9952756

Frequently Asked Questions

What is the IUPAC name of 8-[(2S)-2-[(cyclohexylamino)methyl]pyrrolidin-1-yl]sulfonyl-3,3-dimethyl-2,4-dihydropyrimido[1,2-a]indol-10-one?
The IUPAC name of 8-[(2S)-2-[(cyclohexylamino)methyl]pyrrolidin-1-yl]sulfonyl-3,3-dimethyl-2,4-dihydropyrimido[1,2-a]indol-10-one (CID 11576187) is 8-[(2S)-2-[(cyclohexylamino)methyl]pyrrolidin-1-yl]sulfonyl-3,3-dimethyl-2,4-dihydropyrimido[1,2-a]indol-10-one.
What is the SMILES notation for 8-[(2S)-2-[(cyclohexylamino)methyl]pyrrolidin-1-yl]sulfonyl-3,3-dimethyl-2,4-dihydropyrimido[1,2-a]indol-10-one?
The canonical SMILES for 8-[(2S)-2-[(cyclohexylamino)methyl]pyrrolidin-1-yl]sulfonyl-3,3-dimethyl-2,4-dihydropyrimido[1,2-a]indol-10-one is CC1(C)CN=C2C(=O)c3cc(S(=O)(=O)N4CCC[C@H]4CNC4CCCCC4)ccc3N2C1.
What is the InChIKey of 8-[(2S)-2-[(cyclohexylamino)methyl]pyrrolidin-1-yl]sulfonyl-3,3-dimethyl-2,4-dihydropyrimido[1,2-a]indol-10-one?
The InChIKey is JUQKZWOQTMDWNU-SFHVURJKSA-N. The full InChI is InChI=1S/C24H34N4O3S/c1-24(2)15-26-23-22(29)20-13-19(10-11-21(20)27(23)16-24)32(30,31)28-12-6-9-18(28)14-25-17-7-4-3-5-8-17/h10-11,13,17-18,25H,3-9,12,14-16H2,1-2H3/t18-/m0/s1.
What are the key properties of 8-[(2S)-2-[(cyclohexylamino)methyl]pyrrolidin-1-yl]sulfonyl-3,3-dimethyl-2,4-dihydropyrimido[1,2-a]indol-10-one?
8-[(2S)-2-[(cyclohexylamino)methyl]pyrrolidin-1-yl]sulfonyl-3,3-dimethyl-2,4-dihydropyrimido[1,2-a]indol-10-one has a molecular weight of 458.63 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2S)-2-[(cyclohexylamino)methyl]pyrrolidin-1-yl]sulfonyl-3,3-dimethyl-2,4-dihydropyrimido[1,2-a]indol-10-one is sourced from PubChem (CID 11576187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).