1-[4-(1-propylpyrazol-4-yl)sulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]propan-1-one

C17H28N4O4S — CID 131947966

IUPAC1-[4-(1-propylpyrazol-4-yl)sulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]propan-1-one
SMILESCCCn1cc(S(=O)(=O)N2CCOC3(CCN(C(=O)CC)CC3)C2)cn1
InChIInChI=1S/C17H28N4O4S/c1-3-7-20-13-15(12-18-20)26(23,24)21-10-11-25-17(14-21)5-8-19(9-6-17)16(22)4-2/h12-13H,3-11,14H2,1-2H3
InChIKeyWLAQSDUAVUFYAW-UHFFFAOYSA-N
MW384.50 g/mol
LogP1.09
Rot. Bonds5

About 1-[4-(1-propylpyrazol-4-yl)sulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]propan-1-one

1-[4-(1-propylpyrazol-4-yl)sulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]propan-1-one (PubChem CID 131947966) has the molecular formula C17H28N4O4S and a molecular weight of 384.50 g/mol. Its IUPAC name is 1-[4-(1-propylpyrazol-4-yl)sulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(1-propylpyrazol-4-yl)sulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]propan-1-one
PubChem CID131947966
Molecular FormulaC17H28N4O4S
Molecular Weight384.50 g/mol
Exact Mass384.18
IUPAC Name1-[4-(1-propylpyrazol-4-yl)sulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]propan-1-one
SMILESCCCn1cc(S(=O)(=O)N2CCOC3(CCN(C(=O)CC)CC3)C2)cn1
InChIInChI=1S/C17H28N4O4S/c1-3-7-20-13-15(12-18-20)26(23,24)21-10-11-25-17(14-21)5-8-19(9-6-17)16(22)4-2/h12-13H,3-11,14H2,1-2H3
InChIKeyWLAQSDUAVUFYAW-UHFFFAOYSA-N
XLogP1.09
TPSA84.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-(1-propylpyrazol-4-yl)sulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6S)-4-(1-ethylpyrazol-4-yl)sulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 95720503
2-(1-propylpyrazol-4-yl)sulfonyl-2,8-diazaspiro[4.5]decane;hydrochloride
CID 154906899
(3aR,5S,6S,7aS)-2-(1-propylpyrazol-4-yl)sulfonyl-1,3,3a,4,5,6,7,7a-octahydroisoindole-5,6-diol
CID 56899644
1-(4-methylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2-pyridin-3-ylethanone
CID 131911352
(3R,4S)-4-propyl-1-(1-propylpyrazol-4-yl)sulfonylpyrrolidin-3-amine
CID 72874326
1-[4-[2-(benzotriazol-2-yl)acetyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]propan-1-one
CID 131932589
5-(1,9-dioxa-4-azaspiro[5.5]undecan-4-ylsulfonyl)pyridine-2-carboxylic acid
CID 138001404
[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl] 4-(4-fluorophenyl)sulfonyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate
CID 126502765
2-[4-(1-propylpyrazol-4-yl)sulfonylpiperazin-1-yl]pyridine-3-carboxamide
CID 131927651
(2,4-dimethyl-1,3-oxazol-5-yl)-(4-ethylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 131899711
[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl] 4-(3-fluoro-4-methylphenyl)sulfonyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate
CID 126502838
(1,1,1-trifluoro-3-hydroxypropan-2-yl) 4-(3-fluoro-4-methylphenyl)sulfonyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate
CID 155092073

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-propylpyrazol-4-yl)sulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]propan-1-one?
The IUPAC name of 1-[4-(1-propylpyrazol-4-yl)sulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]propan-1-one (CID 131947966) is 1-[4-(1-propylpyrazol-4-yl)sulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]propan-1-one.
What is the SMILES notation for 1-[4-(1-propylpyrazol-4-yl)sulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]propan-1-one?
The canonical SMILES for 1-[4-(1-propylpyrazol-4-yl)sulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]propan-1-one is CCCn1cc(S(=O)(=O)N2CCOC3(CCN(C(=O)CC)CC3)C2)cn1.
What is the InChIKey of 1-[4-(1-propylpyrazol-4-yl)sulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]propan-1-one?
The InChIKey is WLAQSDUAVUFYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O4S/c1-3-7-20-13-15(12-18-20)26(23,24)21-10-11-25-17(14-21)5-8-19(9-6-17)16(22)4-2/h12-13H,3-11,14H2,1-2H3.
What are the key properties of 1-[4-(1-propylpyrazol-4-yl)sulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]propan-1-one?
1-[4-(1-propylpyrazol-4-yl)sulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]propan-1-one has a molecular weight of 384.50 g/mol, XLogP of 1.09, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-propylpyrazol-4-yl)sulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]propan-1-one is sourced from PubChem (CID 131947966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).