2-[4-(cyclopropanecarbonyl)phenyl]sulfanyl-1-morpholin-4-ylethanone

C16H19NO3S — CID 82165076

IUPAC2-[4-(cyclopropanecarbonyl)phenyl]sulfanyl-1-morpholin-4-ylethanone
SMILESO=C(c1ccc(SCC(=O)N2CCOCC2)cc1)C1CC1
InChIInChI=1S/C16H19NO3S/c18-15(17-7-9-20-10-8-17)11-21-14-5-3-13(4-6-14)16(19)12-1-2-12/h3-6,12H,1-2,7-11H2
InChIKeyCCBBEHVXRXXRHV-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.23
Rot. Bonds5

About 2-[4-(cyclopropanecarbonyl)phenyl]sulfanyl-1-morpholin-4-ylethanone

2-[4-(cyclopropanecarbonyl)phenyl]sulfanyl-1-morpholin-4-ylethanone (PubChem CID 82165076) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-[4-(cyclopropanecarbonyl)phenyl]sulfanyl-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[4-(cyclopropanecarbonyl)phenyl]sulfanyl-1-morpholin-4-ylethanone
PubChem CID82165076
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC Name2-[4-(cyclopropanecarbonyl)phenyl]sulfanyl-1-morpholin-4-ylethanone
SMILESO=C(c1ccc(SCC(=O)N2CCOCC2)cc1)C1CC1
InChIInChI=1S/C16H19NO3S/c18-15(17-7-9-20-10-8-17)11-21-14-5-3-13(4-6-14)16(19)12-1-2-12/h3-6,12H,1-2,7-11H2
InChIKeyCCBBEHVXRXXRHV-UHFFFAOYSA-N
XLogP2.23
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopropyl-[4-(2-morpholin-4-ylethylsulfanyl)phenyl]methanone
CID 82165144
2-(4-hydroxyphenyl)sulfanyl-1-morpholin-4-ylethanone
CID 54911266
1-(4-benzoylpiperidin-1-yl)-2-(4-chlorophenyl)sulfanylethanone
CID 2740764
1-[4-(4-hydroxybenzoyl)piperidin-1-yl]-2-pyridin-4-ylsulfanylethanone
CID 78840834
4-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoic acid
CID 16791377
4-[2-(azocan-1-yl)-2-oxoethyl]sulfanylbenzoic acid
CID 43242305
2-(3-hydroxyphenyl)sulfanyl-1-morpholin-4-ylethanone
CID 113430046
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-morpholin-4-ylethanone
CID 60652352
1-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-phenylsulfanylethanone
CID 75838690
1-[4-[2-(4-bromophenyl)sulfanylacetyl]piperazin-1-yl]-2-morpholin-4-ylethanone
CID 55496654
2-(4-hydroxyphenyl)sulfanyl-1-pyrrolidin-1-ylethanone
CID 61031200
1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylphenyl]butan-1-one
CID 82164633

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropanecarbonyl)phenyl]sulfanyl-1-morpholin-4-ylethanone?
The IUPAC name of 2-[4-(cyclopropanecarbonyl)phenyl]sulfanyl-1-morpholin-4-ylethanone (CID 82165076) is 2-[4-(cyclopropanecarbonyl)phenyl]sulfanyl-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[4-(cyclopropanecarbonyl)phenyl]sulfanyl-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[4-(cyclopropanecarbonyl)phenyl]sulfanyl-1-morpholin-4-ylethanone is O=C(c1ccc(SCC(=O)N2CCOCC2)cc1)C1CC1.
What is the InChIKey of 2-[4-(cyclopropanecarbonyl)phenyl]sulfanyl-1-morpholin-4-ylethanone?
The InChIKey is CCBBEHVXRXXRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c18-15(17-7-9-20-10-8-17)11-21-14-5-3-13(4-6-14)16(19)12-1-2-12/h3-6,12H,1-2,7-11H2.
What are the key properties of 2-[4-(cyclopropanecarbonyl)phenyl]sulfanyl-1-morpholin-4-ylethanone?
2-[4-(cyclopropanecarbonyl)phenyl]sulfanyl-1-morpholin-4-ylethanone has a molecular weight of 305.40 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropanecarbonyl)phenyl]sulfanyl-1-morpholin-4-ylethanone is sourced from PubChem (CID 82165076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).