1-(1,5-dioxaspiro[5.5]undecan-11-yl)-3-(4-methylphenyl)sulfonylurea

C17H24N2O5S — CID 134115577

IUPAC1-(1,5-dioxaspiro[5.5]undecan-11-yl)-3-(4-methylphenyl)sulfonylurea
SMILESCc1ccc(S(=O)(=O)NC(=O)NC2CCCCC23OCCCO3)cc1
InChIInChI=1S/C17H24N2O5S/c1-13-6-8-14(9-7-13)25(21,22)19-16(20)18-15-5-2-3-10-17(15)23-11-4-12-24-17/h6-9,15H,2-5,10-12H2,1H3,(H2,18,19,20)
InChIKeySBRBRIAKBFFVSB-UHFFFAOYSA-N
MW368.46 g/mol
LogP2.06
Rot. Bonds3

About 1-(1,5-dioxaspiro[5.5]undecan-11-yl)-3-(4-methylphenyl)sulfonylurea

1-(1,5-dioxaspiro[5.5]undecan-11-yl)-3-(4-methylphenyl)sulfonylurea (PubChem CID 134115577) has the molecular formula C17H24N2O5S and a molecular weight of 368.46 g/mol. Its IUPAC name is 1-(1,5-dioxaspiro[5.5]undecan-11-yl)-3-(4-methylphenyl)sulfonylurea.

Molecular Properties

Compound Name1-(1,5-dioxaspiro[5.5]undecan-11-yl)-3-(4-methylphenyl)sulfonylurea
PubChem CID134115577
Molecular FormulaC17H24N2O5S
Molecular Weight368.46 g/mol
Exact Mass368.14
IUPAC Name1-(1,5-dioxaspiro[5.5]undecan-11-yl)-3-(4-methylphenyl)sulfonylurea
SMILESCc1ccc(S(=O)(=O)NC(=O)NC2CCCCC23OCCCO3)cc1
InChIInChI=1S/C17H24N2O5S/c1-13-6-8-14(9-7-13)25(21,22)19-16(20)18-15-5-2-3-10-17(15)23-11-4-12-24-17/h6-9,15H,2-5,10-12H2,1H3,(H2,18,19,20)
InChIKeySBRBRIAKBFFVSB-UHFFFAOYSA-N
XLogP2.06
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1S,6S)-7-bicyclo[4.1.0]heptanyl]-3-(4-methylphenyl)sulfonylurea
CID 916360
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CID 40596016
1-cyclohexyl-3-[(4-methylphenyl)sulfonylcarbamoylamino]urea
CID 2370277
4-methyl-N-[(3R,4R)-1-oxaspiro[2.5]octan-4-yl]benzenesulfonamide
CID 11845877
1-[(1R,2S)-2-hydroxycyclopentyl]-3-(4-methylphenyl)sulfonylurea
CID 40596528
1-[2-(1,3-dioxolan-2-yl)ethyl]-3-(4-methylphenyl)sulfonylurea
CID 110369965
N-(4-methylphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 110396656
1-[(1-but-3-enylcyclopentyl)methyl]-3-(4-methylphenyl)sulfonylurea
CID 102483434
1-[(2S,3R)-3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-3-(4-methylphenyl)sulfonylurea
CID 59004857
[(1R,4R)-1,4-dimethylcyclohex-2-en-1-yl] N-(4-methylphenyl)sulfonylcarbamate
CID 166940084
1-(4-methylphenyl)sulfonyl-3-(4-sulfanylidenemorpholin-4-ium-2-yl)urea
CID 6337895
1-(4-methylphenyl)sulfonyl-3-[[5-[[(4-methylphenyl)sulfonylcarbamoylamino]methyl]furan-2-yl]methyl]urea
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Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dioxaspiro[5.5]undecan-11-yl)-3-(4-methylphenyl)sulfonylurea?
The IUPAC name of 1-(1,5-dioxaspiro[5.5]undecan-11-yl)-3-(4-methylphenyl)sulfonylurea (CID 134115577) is 1-(1,5-dioxaspiro[5.5]undecan-11-yl)-3-(4-methylphenyl)sulfonylurea.
What is the SMILES notation for 1-(1,5-dioxaspiro[5.5]undecan-11-yl)-3-(4-methylphenyl)sulfonylurea?
The canonical SMILES for 1-(1,5-dioxaspiro[5.5]undecan-11-yl)-3-(4-methylphenyl)sulfonylurea is Cc1ccc(S(=O)(=O)NC(=O)NC2CCCCC23OCCCO3)cc1.
What is the InChIKey of 1-(1,5-dioxaspiro[5.5]undecan-11-yl)-3-(4-methylphenyl)sulfonylurea?
The InChIKey is SBRBRIAKBFFVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5S/c1-13-6-8-14(9-7-13)25(21,22)19-16(20)18-15-5-2-3-10-17(15)23-11-4-12-24-17/h6-9,15H,2-5,10-12H2,1H3,(H2,18,19,20).
What are the key properties of 1-(1,5-dioxaspiro[5.5]undecan-11-yl)-3-(4-methylphenyl)sulfonylurea?
1-(1,5-dioxaspiro[5.5]undecan-11-yl)-3-(4-methylphenyl)sulfonylurea has a molecular weight of 368.46 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dioxaspiro[5.5]undecan-11-yl)-3-(4-methylphenyl)sulfonylurea is sourced from PubChem (CID 134115577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).