(1-methylsulfonyl-2,3-dihydroindol-5-yl)-morpholin-4-ylmethanone

C14H18N2O4S — CID 2301990

IUPAC(1-methylsulfonyl-2,3-dihydroindol-5-yl)-morpholin-4-ylmethanone
SMILESCS(=O)(=O)N1CCc2cc(C(=O)N3CCOCC3)ccc21
InChIInChI=1S/C14H18N2O4S/c1-21(18,19)16-5-4-11-10-12(2-3-13(11)16)14(17)15-6-8-20-9-7-15/h2-3,10H,4-9H2,1H3
InChIKeyBZBPHGWJXMQXQH-UHFFFAOYSA-N
MW310.38 g/mol
LogP0.48
Rot. Bonds2

About (1-methylsulfonyl-2,3-dihydroindol-5-yl)-morpholin-4-ylmethanone

(1-methylsulfonyl-2,3-dihydroindol-5-yl)-morpholin-4-ylmethanone (PubChem CID 2301990) has the molecular formula C14H18N2O4S and a molecular weight of 310.38 g/mol. Its IUPAC name is (1-methylsulfonyl-2,3-dihydroindol-5-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(1-methylsulfonyl-2,3-dihydroindol-5-yl)-morpholin-4-ylmethanone
PubChem CID2301990
Molecular FormulaC14H18N2O4S
Molecular Weight310.38 g/mol
Exact Mass310.10
IUPAC Name(1-methylsulfonyl-2,3-dihydroindol-5-yl)-morpholin-4-ylmethanone
SMILESCS(=O)(=O)N1CCc2cc(C(=O)N3CCOCC3)ccc21
InChIInChI=1S/C14H18N2O4S/c1-21(18,19)16-5-4-11-10-12(2-3-13(11)16)14(17)15-6-8-20-9-7-15/h2-3,10H,4-9H2,1H3
InChIKeyBZBPHGWJXMQXQH-UHFFFAOYSA-N
XLogP0.48
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 1085737
1-(Methylsulfonyl)-5-(pyrrolidin-1-ylcarbonyl)indoline
CID 4267246
Ethyl 4-[2-(1-acetyl-2,3-dihydroindol-5-yl)-2-oxoethyl]piperazine-1-carboxylate
CID 5307749
1-(1-acetyl-2,3-dihydro-1H-indol-5-yl)-2-piperidin-1-ylethanone
CID 5309620
N-(1-((3-aminopropyl)sulfonyl)piperidin-4-yl)-2-oxoindoline-5-carboxamide
CID 127047451
N-(2,6-dimethylphenyl)-1-(methylsulfonyl)indoline-5-carboxamide
CID 5295578
N-(3-fluoro-2-methylphenyl)-1-(methylsulfonyl)indoline-5-carboxamide
CID 5295583
N-(4-methylphenyl)-1-(methylsulfonyl)-5-indolinecarboxamide
CID 847684
Cambridge id 5648552
CID 872988
N-methyl-N-[4-(morpholine-4-carbonyl)phenyl]methanesulfonamide
CID 893675
N-methyl-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]methanesulfonamide
CID 900491
1-(Methylsulfonyl)-5-(1-piperidinylcarbonyl)indoline
CID 934511

Frequently Asked Questions

What is the IUPAC name of (1-methylsulfonyl-2,3-dihydroindol-5-yl)-morpholin-4-ylmethanone?
The IUPAC name of (1-methylsulfonyl-2,3-dihydroindol-5-yl)-morpholin-4-ylmethanone (CID 2301990) is (1-methylsulfonyl-2,3-dihydroindol-5-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (1-methylsulfonyl-2,3-dihydroindol-5-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (1-methylsulfonyl-2,3-dihydroindol-5-yl)-morpholin-4-ylmethanone is CS(=O)(=O)N1CCc2cc(C(=O)N3CCOCC3)ccc21.
What is the InChIKey of (1-methylsulfonyl-2,3-dihydroindol-5-yl)-morpholin-4-ylmethanone?
The InChIKey is BZBPHGWJXMQXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S/c1-21(18,19)16-5-4-11-10-12(2-3-13(11)16)14(17)15-6-8-20-9-7-15/h2-3,10H,4-9H2,1H3.
What are the key properties of (1-methylsulfonyl-2,3-dihydroindol-5-yl)-morpholin-4-ylmethanone?
(1-methylsulfonyl-2,3-dihydroindol-5-yl)-morpholin-4-ylmethanone has a molecular weight of 310.38 g/mol, XLogP of 0.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylsulfonyl-2,3-dihydroindol-5-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 2301990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).