2-cyclopropyl-9-(1-ethylpyrazol-4-yl)sulfonyl-2,9-diazaspiro[5.5]undecan-3-one

C17H26N4O3S — CID 72856561

IUPAC2-cyclopropyl-9-(1-ethylpyrazol-4-yl)sulfonyl-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCn1cc(S(=O)(=O)N2CCC3(CCC(=O)N(C4CC4)C3)CC2)cn1
InChIInChI=1S/C17H26N4O3S/c1-2-19-12-15(11-18-19)25(23,24)20-9-7-17(8-10-20)6-5-16(22)21(13-17)14-3-4-14/h11-12,14H,2-10,13H2,1H3
InChIKeyVLCBQURNNMJKMQ-UHFFFAOYSA-N
MW366.49 g/mol
LogP1.46
Rot. Bonds4

About 2-cyclopropyl-9-(1-ethylpyrazol-4-yl)sulfonyl-2,9-diazaspiro[5.5]undecan-3-one

2-cyclopropyl-9-(1-ethylpyrazol-4-yl)sulfonyl-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72856561) has the molecular formula C17H26N4O3S and a molecular weight of 366.49 g/mol. Its IUPAC name is 2-cyclopropyl-9-(1-ethylpyrazol-4-yl)sulfonyl-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-cyclopropyl-9-(1-ethylpyrazol-4-yl)sulfonyl-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID72856561
Molecular FormulaC17H26N4O3S
Molecular Weight366.49 g/mol
Exact Mass366.17
IUPAC Name2-cyclopropyl-9-(1-ethylpyrazol-4-yl)sulfonyl-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCn1cc(S(=O)(=O)N2CCC3(CCC(=O)N(C4CC4)C3)CC2)cn1
InChIInChI=1S/C17H26N4O3S/c1-2-19-12-15(11-18-19)25(23,24)20-9-7-17(8-10-20)6-5-16(22)21(13-17)14-3-4-14/h11-12,14H,2-10,13H2,1H3
InChIKeyVLCBQURNNMJKMQ-UHFFFAOYSA-N
XLogP1.46
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-9-(1-ethylpyrazol-4-yl)sulfonyl-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-cyclopropyl-9-(1-ethylpyrazol-4-yl)sulfonyl-2,9-diazaspiro[5.5]undecan-3-one (CID 72856561) is 2-cyclopropyl-9-(1-ethylpyrazol-4-yl)sulfonyl-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-cyclopropyl-9-(1-ethylpyrazol-4-yl)sulfonyl-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-cyclopropyl-9-(1-ethylpyrazol-4-yl)sulfonyl-2,9-diazaspiro[5.5]undecan-3-one is CCn1cc(S(=O)(=O)N2CCC3(CCC(=O)N(C4CC4)C3)CC2)cn1.
What is the InChIKey of 2-cyclopropyl-9-(1-ethylpyrazol-4-yl)sulfonyl-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is VLCBQURNNMJKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3S/c1-2-19-12-15(11-18-19)25(23,24)20-9-7-17(8-10-20)6-5-16(22)21(13-17)14-3-4-14/h11-12,14H,2-10,13H2,1H3.
What are the key properties of 2-cyclopropyl-9-(1-ethylpyrazol-4-yl)sulfonyl-2,9-diazaspiro[5.5]undecan-3-one?
2-cyclopropyl-9-(1-ethylpyrazol-4-yl)sulfonyl-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 366.49 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-9-(1-ethylpyrazol-4-yl)sulfonyl-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72856561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).