[2-(benzenesulfonyl)-2,7-diazaspiro[4.4]nonan-7-yl]-(1,3-thiazol-4-yl)methanone

C17H19N3O3S2 — CID 118738989

IUPAC[2-(benzenesulfonyl)-2,7-diazaspiro[4.4]nonan-7-yl]-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1CCC2(CCN(S(=O)(=O)c3ccccc3)C2)C1
InChIInChI=1S/C17H19N3O3S2/c21-16(15-10-24-13-18-15)19-8-6-17(11-19)7-9-20(12-17)25(22,23)14-4-2-1-3-5-14/h1-5,10,13H,6-9,11-12H2
InChIKeyINIVVNIRXLGFQS-UHFFFAOYSA-N
MW377.49 g/mol
LogP2.07
Rot. Bonds3

About [2-(benzenesulfonyl)-2,7-diazaspiro[4.4]nonan-7-yl]-(1,3-thiazol-4-yl)methanone

[2-(benzenesulfonyl)-2,7-diazaspiro[4.4]nonan-7-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 118738989) has the molecular formula C17H19N3O3S2 and a molecular weight of 377.49 g/mol. Its IUPAC name is [2-(benzenesulfonyl)-2,7-diazaspiro[4.4]nonan-7-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[2-(benzenesulfonyl)-2,7-diazaspiro[4.4]nonan-7-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID118738989
Molecular FormulaC17H19N3O3S2
Molecular Weight377.49 g/mol
Exact Mass377.09
IUPAC Name[2-(benzenesulfonyl)-2,7-diazaspiro[4.4]nonan-7-yl]-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1CCC2(CCN(S(=O)(=O)c3ccccc3)C2)C1
InChIInChI=1S/C17H19N3O3S2/c21-16(15-10-24-13-18-15)19-8-6-17(11-19)7-9-20(12-17)25(22,23)14-4-2-1-3-5-14/h1-5,10,13H,6-9,11-12H2
InChIKeyINIVVNIRXLGFQS-UHFFFAOYSA-N
XLogP2.07
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(benzenesulfonyl)-2,7-diazaspiro[4.4]nonan-7-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [2-(benzenesulfonyl)-2,7-diazaspiro[4.4]nonan-7-yl]-(1,3-thiazol-4-yl)methanone (CID 118738989) is [2-(benzenesulfonyl)-2,7-diazaspiro[4.4]nonan-7-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [2-(benzenesulfonyl)-2,7-diazaspiro[4.4]nonan-7-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [2-(benzenesulfonyl)-2,7-diazaspiro[4.4]nonan-7-yl]-(1,3-thiazol-4-yl)methanone is O=C(c1cscn1)N1CCC2(CCN(S(=O)(=O)c3ccccc3)C2)C1.
What is the InChIKey of [2-(benzenesulfonyl)-2,7-diazaspiro[4.4]nonan-7-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is INIVVNIRXLGFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S2/c21-16(15-10-24-13-18-15)19-8-6-17(11-19)7-9-20(12-17)25(22,23)14-4-2-1-3-5-14/h1-5,10,13H,6-9,11-12H2.
What are the key properties of [2-(benzenesulfonyl)-2,7-diazaspiro[4.4]nonan-7-yl]-(1,3-thiazol-4-yl)methanone?
[2-(benzenesulfonyl)-2,7-diazaspiro[4.4]nonan-7-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 377.49 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzenesulfonyl)-2,7-diazaspiro[4.4]nonan-7-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 118738989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).