4-cyclohexa-1,5-dien-1-ylsulfonyl-8-(cyclopropylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane

C17H26N2O3S — CID 90712163

IUPAC4-cyclohexa-1,5-dien-1-ylsulfonyl-8-(cyclopropylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane
SMILESO=S(=O)(C1=CCCC=C1)N1CCOC12CCN(CC1CC1)CC2
InChIInChI=1S/C17H26N2O3S/c20-23(21,16-4-2-1-3-5-16)19-12-13-22-17(19)8-10-18(11-9-17)14-15-6-7-15/h2,4-5,15H,1,3,6-14H2
InChIKeyUYXMAKDQRZJBAP-UHFFFAOYSA-N
MW338.47 g/mol
LogP2.08
Rot. Bonds4

About 4-cyclohexa-1,5-dien-1-ylsulfonyl-8-(cyclopropylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane

4-cyclohexa-1,5-dien-1-ylsulfonyl-8-(cyclopropylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane (PubChem CID 90712163) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is 4-cyclohexa-1,5-dien-1-ylsulfonyl-8-(cyclopropylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name4-cyclohexa-1,5-dien-1-ylsulfonyl-8-(cyclopropylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane
PubChem CID90712163
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name4-cyclohexa-1,5-dien-1-ylsulfonyl-8-(cyclopropylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane
SMILESO=S(=O)(C1=CCCC=C1)N1CCOC12CCN(CC1CC1)CC2
InChIInChI=1S/C17H26N2O3S/c20-23(21,16-4-2-1-3-5-16)19-12-13-22-17(19)8-10-18(11-9-17)14-15-6-7-15/h2,4-5,15H,1,3,6-14H2
InChIKeyUYXMAKDQRZJBAP-UHFFFAOYSA-N
XLogP2.08
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexa-1,5-dien-1-ylsulfonyl-8-(cyclopropylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane?
The IUPAC name of 4-cyclohexa-1,5-dien-1-ylsulfonyl-8-(cyclopropylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane (CID 90712163) is 4-cyclohexa-1,5-dien-1-ylsulfonyl-8-(cyclopropylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane.
What is the SMILES notation for 4-cyclohexa-1,5-dien-1-ylsulfonyl-8-(cyclopropylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane?
The canonical SMILES for 4-cyclohexa-1,5-dien-1-ylsulfonyl-8-(cyclopropylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane is O=S(=O)(C1=CCCC=C1)N1CCOC12CCN(CC1CC1)CC2.
What is the InChIKey of 4-cyclohexa-1,5-dien-1-ylsulfonyl-8-(cyclopropylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane?
The InChIKey is UYXMAKDQRZJBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c20-23(21,16-4-2-1-3-5-16)19-12-13-22-17(19)8-10-18(11-9-17)14-15-6-7-15/h2,4-5,15H,1,3,6-14H2.
What are the key properties of 4-cyclohexa-1,5-dien-1-ylsulfonyl-8-(cyclopropylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane?
4-cyclohexa-1,5-dien-1-ylsulfonyl-8-(cyclopropylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane has a molecular weight of 338.47 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexa-1,5-dien-1-ylsulfonyl-8-(cyclopropylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane is sourced from PubChem (CID 90712163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).