4-[(4-cyclohexyl-1,2,3,3a-tetrahydropyrrolo[1,2-a]benzimidazol-6-yl)sulfonyl]morpholine

C20H29N3O3S — CID 4883999

IUPAC4-[(4-cyclohexyl-1,2,3,3a-tetrahydropyrrolo[1,2-a]benzimidazol-6-yl)sulfonyl]morpholine
SMILESO=S(=O)(c1ccc2c(c1)N(C1CCCCC1)C1CCCN21)N1CCOCC1
InChIInChI=1S/C20H29N3O3S/c24-27(25,21-11-13-26-14-12-21)17-8-9-18-19(15-17)23(16-5-2-1-3-6-16)20-7-4-10-22(18)20/h8-9,15-16,20H,1-7,10-14H2
InChIKeyJCHRNRUDCPAMPB-UHFFFAOYSA-N
MW391.54 g/mol
LogP2.79
Rot. Bonds3

About 4-[(4-cyclohexyl-1,2,3,3a-tetrahydropyrrolo[1,2-a]benzimidazol-6-yl)sulfonyl]morpholine

4-[(4-cyclohexyl-1,2,3,3a-tetrahydropyrrolo[1,2-a]benzimidazol-6-yl)sulfonyl]morpholine (PubChem CID 4883999) has the molecular formula C20H29N3O3S and a molecular weight of 391.54 g/mol. Its IUPAC name is 4-[(4-cyclohexyl-1,2,3,3a-tetrahydropyrrolo[1,2-a]benzimidazol-6-yl)sulfonyl]morpholine.

Molecular Properties

Compound Name4-[(4-cyclohexyl-1,2,3,3a-tetrahydropyrrolo[1,2-a]benzimidazol-6-yl)sulfonyl]morpholine
PubChem CID4883999
Molecular FormulaC20H29N3O3S
Molecular Weight391.54 g/mol
Exact Mass391.19
IUPAC Name4-[(4-cyclohexyl-1,2,3,3a-tetrahydropyrrolo[1,2-a]benzimidazol-6-yl)sulfonyl]morpholine
SMILESO=S(=O)(c1ccc2c(c1)N(C1CCCCC1)C1CCCN21)N1CCOCC1
InChIInChI=1S/C20H29N3O3S/c24-27(25,21-11-13-26-14-12-21)17-8-9-18-19(15-17)23(16-5-2-1-3-6-16)20-7-4-10-22(18)20/h8-9,15-16,20H,1-7,10-14H2
InChIKeyJCHRNRUDCPAMPB-UHFFFAOYSA-N
XLogP2.79
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.54
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[(4-cyclohexyl-1,2,3,3a-tetrahydropyrrolo[1,2-a]benzimidazol-6-yl)sulfonyl]morpholine with MolForge

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Related Compounds

4-[[(3aS)-4-[(1R)-1-(4-methylphenyl)ethyl]-1,2,3,3a-tetrahydropyrrolo[1,2-a]benzimidazol-6-yl]sulfonyl]morpholine
CID 11922959
4-[[4-[(2,4-dimethylphenyl)methyl]-1,2,3,3a-tetrahydropyrrolo[1,2-a]benzimidazol-6-yl]sulfonyl]morpholine
CID 4798169
4-[[4-[(2-chloro-6-fluorophenyl)methyl]-1,2,3,3a-tetrahydropyrrolo[1,2-a]benzimidazol-6-yl]sulfonyl]morpholine
CID 4798136
(3aR)-5-[(4-methylphenyl)methyl]-7-morpholin-4-ylsulfonyl-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxalin-4-one
CID 40783232
N-cyclohexyl-5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylbenzamide
CID 4825496
N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)cyclopentanecarboxamide
CID 3938418
4-[4-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-3-nitrophenyl]sulfonylmorpholine
CID 43001051
4-[4-[4-(cyclohexylmethyl)piperazin-1-yl]-3-nitrophenyl]sulfonylmorpholine
CID 25336238
4-[4-(cyclohexylmethoxy)-3-nitrophenyl]sulfonylmorpholine
CID 7229733
4-[3-chloro-4-[[(2S)-oxiran-2-yl]methoxy]phenyl]sulfonylmorpholine
CID 7111818
1-cycloheptyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine
CID 43816542
[1-(4-morpholin-4-ylsulfonylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988531

Frequently Asked Questions

What is the IUPAC name of 4-[(4-cyclohexyl-1,2,3,3a-tetrahydropyrrolo[1,2-a]benzimidazol-6-yl)sulfonyl]morpholine?
The IUPAC name of 4-[(4-cyclohexyl-1,2,3,3a-tetrahydropyrrolo[1,2-a]benzimidazol-6-yl)sulfonyl]morpholine (CID 4883999) is 4-[(4-cyclohexyl-1,2,3,3a-tetrahydropyrrolo[1,2-a]benzimidazol-6-yl)sulfonyl]morpholine.
What is the SMILES notation for 4-[(4-cyclohexyl-1,2,3,3a-tetrahydropyrrolo[1,2-a]benzimidazol-6-yl)sulfonyl]morpholine?
The canonical SMILES for 4-[(4-cyclohexyl-1,2,3,3a-tetrahydropyrrolo[1,2-a]benzimidazol-6-yl)sulfonyl]morpholine is O=S(=O)(c1ccc2c(c1)N(C1CCCCC1)C1CCCN21)N1CCOCC1.
What is the InChIKey of 4-[(4-cyclohexyl-1,2,3,3a-tetrahydropyrrolo[1,2-a]benzimidazol-6-yl)sulfonyl]morpholine?
The InChIKey is JCHRNRUDCPAMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3S/c24-27(25,21-11-13-26-14-12-21)17-8-9-18-19(15-17)23(16-5-2-1-3-6-16)20-7-4-10-22(18)20/h8-9,15-16,20H,1-7,10-14H2.
What are the key properties of 4-[(4-cyclohexyl-1,2,3,3a-tetrahydropyrrolo[1,2-a]benzimidazol-6-yl)sulfonyl]morpholine?
4-[(4-cyclohexyl-1,2,3,3a-tetrahydropyrrolo[1,2-a]benzimidazol-6-yl)sulfonyl]morpholine has a molecular weight of 391.54 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-cyclohexyl-1,2,3,3a-tetrahydropyrrolo[1,2-a]benzimidazol-6-yl)sulfonyl]morpholine is sourced from PubChem (CID 4883999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).