7-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]-5-thia-2-azaspiro[3.4]octane

C15H23N3OS — CID 131663709

IUPAC7-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]-5-thia-2-azaspiro[3.4]octane
SMILESCn1cc(CN2CC3(CC(OCC4CC4)CS3)C2)cn1
InChIInChI=1S/C15H23N3OS/c1-17-6-13(5-16-17)7-18-10-15(11-18)4-14(9-20-15)19-8-12-2-3-12/h5-6,12,14H,2-4,7-11H2,1H3
InChIKeyDBPVRUMSNTZMNF-UHFFFAOYSA-N
MW293.44 g/mol
LogP1.91
Rot. Bonds5

About 7-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]-5-thia-2-azaspiro[3.4]octane

7-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]-5-thia-2-azaspiro[3.4]octane (PubChem CID 131663709) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is 7-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]-5-thia-2-azaspiro[3.4]octane.

Molecular Properties

Compound Name7-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]-5-thia-2-azaspiro[3.4]octane
PubChem CID131663709
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name7-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]-5-thia-2-azaspiro[3.4]octane
SMILESCn1cc(CN2CC3(CC(OCC4CC4)CS3)C2)cn1
InChIInChI=1S/C15H23N3OS/c1-17-6-13(5-16-17)7-18-10-15(11-18)4-14(9-20-15)19-8-12-2-3-12/h5-6,12,14H,2-4,7-11H2,1H3
InChIKeyDBPVRUMSNTZMNF-UHFFFAOYSA-N
XLogP1.91
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-chlorophenyl)methyl]-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octane
CID 131677540
(8R)-2-[(1-methylpyrazol-4-yl)methyl]-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane
CID 124816647
2-[(1-ethylpyrazol-4-yl)methyl]-7-(pyridin-3-ylmethoxy)-5-thia-2-azaspiro[3.4]octane
CID 133140804
(7R)-7-(cyclopropylmethoxy)-2-(5-fluoropyrimidin-2-yl)-5-thia-2-azaspiro[3.4]octane
CID 124782528
2-[[(7R)-2-[(1-ethylpyrazol-4-yl)methyl]-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]-1-pyrrolidin-1-ylethanone
CID 124831321
2-[(3-fluorophenyl)methyl]-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octane
CID 131677549
2-[(3-chlorophenyl)methyl]-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octane
CID 131677612
7-(cyclopropylmethoxy)-N,N-dimethyl-5-thia-2-azaspiro[3.4]octane-2-carboxamide
CID 131661234
2-(furan-2-ylmethyl)-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octane
CID 131677492
2-[(2-fluorophenyl)methyl]-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octane
CID 131640262
(7S)-2-[(2-fluorophenyl)methyl]-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octane
CID 124783024
[(7R)-7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-pyridazin-4-ylmethanone
CID 124790834

Frequently Asked Questions

What is the IUPAC name of 7-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]-5-thia-2-azaspiro[3.4]octane?
The IUPAC name of 7-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]-5-thia-2-azaspiro[3.4]octane (CID 131663709) is 7-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]-5-thia-2-azaspiro[3.4]octane.
What is the SMILES notation for 7-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]-5-thia-2-azaspiro[3.4]octane?
The canonical SMILES for 7-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]-5-thia-2-azaspiro[3.4]octane is Cn1cc(CN2CC3(CC(OCC4CC4)CS3)C2)cn1.
What is the InChIKey of 7-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]-5-thia-2-azaspiro[3.4]octane?
The InChIKey is DBPVRUMSNTZMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-17-6-13(5-16-17)7-18-10-15(11-18)4-14(9-20-15)19-8-12-2-3-12/h5-6,12,14H,2-4,7-11H2,1H3.
What are the key properties of 7-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]-5-thia-2-azaspiro[3.4]octane?
7-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]-5-thia-2-azaspiro[3.4]octane has a molecular weight of 293.44 g/mol, XLogP of 1.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]-5-thia-2-azaspiro[3.4]octane is sourced from PubChem (CID 131663709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).