1-(4-cyclohexylsulfonyl-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl)-2-pyridin-3-ylethanone

C20H29N3O5S — CID 171318562

IUPAC1-(4-cyclohexylsulfonyl-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl)-2-pyridin-3-ylethanone
SMILESO=C(Cc1cccnc1)N1CCOC2(C1)CN(S(=O)(=O)C1CCCCC1)CCO2
InChIInChI=1S/C20H29N3O5S/c24-19(13-17-5-4-8-21-14-17)22-9-11-27-20(15-22)16-23(10-12-28-20)29(25,26)18-6-2-1-3-7-18/h4-5,8,14,18H,1-3,6-7,9-13,15-16H2
InChIKeyVVTLWMGYTXYJJN-UHFFFAOYSA-N
MW423.54 g/mol
LogP1.17
Rot. Bonds4

About 1-(4-cyclohexylsulfonyl-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl)-2-pyridin-3-ylethanone

1-(4-cyclohexylsulfonyl-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl)-2-pyridin-3-ylethanone (PubChem CID 171318562) has the molecular formula C20H29N3O5S and a molecular weight of 423.54 g/mol. Its IUPAC name is 1-(4-cyclohexylsulfonyl-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl)-2-pyridin-3-ylethanone.

Molecular Properties

Compound Name1-(4-cyclohexylsulfonyl-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl)-2-pyridin-3-ylethanone
PubChem CID171318562
Molecular FormulaC20H29N3O5S
Molecular Weight423.54 g/mol
Exact Mass423.18
IUPAC Name1-(4-cyclohexylsulfonyl-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl)-2-pyridin-3-ylethanone
SMILESO=C(Cc1cccnc1)N1CCOC2(C1)CN(S(=O)(=O)C1CCCCC1)CCO2
InChIInChI=1S/C20H29N3O5S/c24-19(13-17-5-4-8-21-14-17)22-9-11-27-20(15-22)16-23(10-12-28-20)29(25,26)18-6-2-1-3-7-18/h4-5,8,14,18H,1-3,6-7,9-13,15-16H2
InChIKeyVVTLWMGYTXYJJN-UHFFFAOYSA-N
XLogP1.17
TPSA89.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(4-cyclohexylsulfonyl-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl)-2-pyridin-3-ylethanone with MolForge

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Related Compounds

1-(4-methylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2-pyridin-3-ylethanone
CID 131911352
1-[9-[(3S)-oxolan-3-yl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-pyridin-3-ylethanone
CID 97450931
1-[(3R,5R)-3-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-2-pyridin-3-ylethanone
CID 97393983
1-[8-(cyclohexylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-pyridin-3-ylethanone;bis(2,2,2-trifluoroacetic acid)
CID 155827126
1-[2-(hydroxymethyl)morpholin-4-yl]-2-pyridin-3-ylethanone
CID 81208117
1-(4-piperidin-4-ylpiperidin-1-yl)-2-pyridin-3-ylethanone
CID 155504559
(8-methyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)-pyridin-3-ylmethanone
CID 172884571
1-[(5R)-2-[(3S)-oxolan-3-yl]-2,7-diazaspiro[4.5]decan-7-yl]-2-pyridin-3-ylethanone
CID 98776791
1-(3,3-diphenylpiperidin-1-yl)-2-pyridin-3-ylethanone
CID 72933718
N,N-dimethyl-2-[(3-phenylphenyl)methyl]-4-(2-pyridin-3-ylacetyl)morpholine-2-carboxamide
CID 110233157
1-[2-(oxan-4-yl)-2,8-diazaspiro[4.5]decan-8-yl]-2-pyridin-3-ylethanone;bis(2,2,2-trifluoroacetic acid)
CID 118746383
1-(4-pyrazol-1-ylpiperidin-1-yl)-2-pyridin-3-ylethanone
CID 110468074

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexylsulfonyl-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl)-2-pyridin-3-ylethanone?
The IUPAC name of 1-(4-cyclohexylsulfonyl-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl)-2-pyridin-3-ylethanone (CID 171318562) is 1-(4-cyclohexylsulfonyl-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl)-2-pyridin-3-ylethanone.
What is the SMILES notation for 1-(4-cyclohexylsulfonyl-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl)-2-pyridin-3-ylethanone?
The canonical SMILES for 1-(4-cyclohexylsulfonyl-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl)-2-pyridin-3-ylethanone is O=C(Cc1cccnc1)N1CCOC2(C1)CN(S(=O)(=O)C1CCCCC1)CCO2.
What is the InChIKey of 1-(4-cyclohexylsulfonyl-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl)-2-pyridin-3-ylethanone?
The InChIKey is VVTLWMGYTXYJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O5S/c24-19(13-17-5-4-8-21-14-17)22-9-11-27-20(15-22)16-23(10-12-28-20)29(25,26)18-6-2-1-3-7-18/h4-5,8,14,18H,1-3,6-7,9-13,15-16H2.
What are the key properties of 1-(4-cyclohexylsulfonyl-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl)-2-pyridin-3-ylethanone?
1-(4-cyclohexylsulfonyl-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl)-2-pyridin-3-ylethanone has a molecular weight of 423.54 g/mol, XLogP of 1.17, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexylsulfonyl-1,7-dioxa-4,10-diazaspiro[5.5]undecan-10-yl)-2-pyridin-3-ylethanone is sourced from PubChem (CID 171318562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).