cyclopropyl-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)methanone

C16H20N2O4S — CID 3240847

IUPACcyclopropyl-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
SMILESO=C(C1CC1)N1CCc2cc(S(=O)(=O)N3CCOCC3)ccc21
InChIInChI=1S/C16H20N2O4S/c19-16(12-1-2-12)18-6-5-13-11-14(3-4-15(13)18)23(20,21)17-7-9-22-10-8-17/h3-4,11-12H,1-2,5-10H2
InChIKeyWPGNKWUSQCRPAL-UHFFFAOYSA-N
MW336.41 g/mol
LogP1.01
Rot. Bonds3

About cyclopropyl-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)methanone

cyclopropyl-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 3240847) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is cyclopropyl-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Namecyclopropyl-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
PubChem CID3240847
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC Namecyclopropyl-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
SMILESO=C(C1CC1)N1CCc2cc(S(=O)(=O)N3CCOCC3)ccc21
InChIInChI=1S/C16H20N2O4S/c19-16(12-1-2-12)18-6-5-13-11-14(3-4-15(13)18)23(20,21)17-7-9-22-10-8-17/h3-4,11-12H,1-2,5-10H2
InChIKeyWPGNKWUSQCRPAL-UHFFFAOYSA-N
XLogP1.01
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of cyclopropyl-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)methanone (CID 3240847) is cyclopropyl-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for cyclopropyl-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for cyclopropyl-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)methanone is O=C(C1CC1)N1CCc2cc(S(=O)(=O)N3CCOCC3)ccc21.
What is the InChIKey of cyclopropyl-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is WPGNKWUSQCRPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S/c19-16(12-1-2-12)18-6-5-13-11-14(3-4-15(13)18)23(20,21)17-7-9-22-10-8-17/h3-4,11-12H,1-2,5-10H2.
What are the key properties of cyclopropyl-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)methanone?
cyclopropyl-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 336.41 g/mol, XLogP of 1.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 3240847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).