3-pyrimidin-2-ylsulfanyl-1-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-one

C19H19N3OS — CID 23861541

IUPAC3-pyrimidin-2-ylsulfanyl-1-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-one
SMILESO=C(CCSc1ncccn1)n1c2c(c3ccccc31)CCCC2
InChIInChI=1S/C19H19N3OS/c23-18(10-13-24-19-20-11-5-12-21-19)22-16-8-3-1-6-14(16)15-7-2-4-9-17(15)22/h1,3,5-6,8,11-12H,2,4,7,9-10,13H2
InChIKeyYAZSYWCWQQMAKX-UHFFFAOYSA-N
MW337.45 g/mol
LogP4.13
Rot. Bonds4

About 3-pyrimidin-2-ylsulfanyl-1-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-one

3-pyrimidin-2-ylsulfanyl-1-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-one (PubChem CID 23861541) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is 3-pyrimidin-2-ylsulfanyl-1-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-one.

Molecular Properties

Compound Name3-pyrimidin-2-ylsulfanyl-1-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-one
PubChem CID23861541
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC Name3-pyrimidin-2-ylsulfanyl-1-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-one
SMILESO=C(CCSc1ncccn1)n1c2c(c3ccccc31)CCCC2
InChIInChI=1S/C19H19N3OS/c23-18(10-13-24-19-20-11-5-12-21-19)22-16-8-3-1-6-14(16)15-7-2-4-9-17(15)22/h1,3,5-6,8,11-12H,2,4,7,9-10,13H2
InChIKeyYAZSYWCWQQMAKX-UHFFFAOYSA-N
XLogP4.13
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-pyrimidin-2-ylsulfanyl-1-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-one?
The IUPAC name of 3-pyrimidin-2-ylsulfanyl-1-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-one (CID 23861541) is 3-pyrimidin-2-ylsulfanyl-1-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-one.
What is the SMILES notation for 3-pyrimidin-2-ylsulfanyl-1-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-one?
The canonical SMILES for 3-pyrimidin-2-ylsulfanyl-1-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-one is O=C(CCSc1ncccn1)n1c2c(c3ccccc31)CCCC2.
What is the InChIKey of 3-pyrimidin-2-ylsulfanyl-1-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-one?
The InChIKey is YAZSYWCWQQMAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c23-18(10-13-24-19-20-11-5-12-21-19)22-16-8-3-1-6-14(16)15-7-2-4-9-17(15)22/h1,3,5-6,8,11-12H,2,4,7,9-10,13H2.
What are the key properties of 3-pyrimidin-2-ylsulfanyl-1-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-one?
3-pyrimidin-2-ylsulfanyl-1-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-one has a molecular weight of 337.45 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrimidin-2-ylsulfanyl-1-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-one is sourced from PubChem (CID 23861541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).