(4-cyclohexylsulfonyl-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl)-(2-methyl-1,3-thiazol-4-yl)methanone

C18H27N3O5S2 — CID 171318311

IUPAC(4-cyclohexylsulfonyl-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCc1nc(C(=O)N2CCOC3(C2)CN(S(=O)(=O)C2CCCCC2)CCO3)cs1
InChIInChI=1S/C18H27N3O5S2/c1-14-19-16(11-27-14)17(22)20-7-9-25-18(12-20)13-21(8-10-26-18)28(23,24)15-5-3-2-4-6-15/h11,15H,2-10,12-13H2,1H3
InChIKeyUZUGKIGVWZPPMF-UHFFFAOYSA-N
MW429.56 g/mol
LogP1.61
Rot. Bonds3

About (4-cyclohexylsulfonyl-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl)-(2-methyl-1,3-thiazol-4-yl)methanone

(4-cyclohexylsulfonyl-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl)-(2-methyl-1,3-thiazol-4-yl)methanone (PubChem CID 171318311) has the molecular formula C18H27N3O5S2 and a molecular weight of 429.56 g/mol. Its IUPAC name is (4-cyclohexylsulfonyl-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl)-(2-methyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name(4-cyclohexylsulfonyl-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
PubChem CID171318311
Molecular FormulaC18H27N3O5S2
Molecular Weight429.56 g/mol
Exact Mass429.14
IUPAC Name(4-cyclohexylsulfonyl-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCc1nc(C(=O)N2CCOC3(C2)CN(S(=O)(=O)C2CCCCC2)CCO3)cs1
InChIInChI=1S/C18H27N3O5S2/c1-14-19-16(11-27-14)17(22)20-7-9-25-18(12-20)13-21(8-10-26-18)28(23,24)15-5-3-2-4-6-15/h11,15H,2-10,12-13H2,1H3
InChIKeyUZUGKIGVWZPPMF-UHFFFAOYSA-N
XLogP1.61
TPSA89.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.56
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 172884491
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(2-methyl-1,3-thiazol-4-yl)-[4-(oxan-4-yl)piperazin-1-yl]methanone
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[(3S)-3-aminopiperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of (4-cyclohexylsulfonyl-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl)-(2-methyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of (4-cyclohexylsulfonyl-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl)-(2-methyl-1,3-thiazol-4-yl)methanone (CID 171318311) is (4-cyclohexylsulfonyl-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl)-(2-methyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for (4-cyclohexylsulfonyl-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl)-(2-methyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for (4-cyclohexylsulfonyl-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl)-(2-methyl-1,3-thiazol-4-yl)methanone is Cc1nc(C(=O)N2CCOC3(C2)CN(S(=O)(=O)C2CCCCC2)CCO3)cs1.
What is the InChIKey of (4-cyclohexylsulfonyl-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl)-(2-methyl-1,3-thiazol-4-yl)methanone?
The InChIKey is UZUGKIGVWZPPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O5S2/c1-14-19-16(11-27-14)17(22)20-7-9-25-18(12-20)13-21(8-10-26-18)28(23,24)15-5-3-2-4-6-15/h11,15H,2-10,12-13H2,1H3.
What are the key properties of (4-cyclohexylsulfonyl-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl)-(2-methyl-1,3-thiazol-4-yl)methanone?
(4-cyclohexylsulfonyl-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl)-(2-methyl-1,3-thiazol-4-yl)methanone has a molecular weight of 429.56 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexylsulfonyl-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl)-(2-methyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 171318311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).