1-[8-(benzenesulfonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone

C18H26N2O4S — CID 91922160

IUPAC1-[8-(benzenesulfonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
SMILESCOCC1CN(C(C)=O)CC12CCN(S(=O)(=O)c1ccccc1)CC2
InChIInChI=1S/C18H26N2O4S/c1-15(21)19-12-16(13-24-2)18(14-19)8-10-20(11-9-18)25(22,23)17-6-4-3-5-7-17/h3-7,16H,8-14H2,1-2H3
InChIKeySRFFDPPNHFXBTR-UHFFFAOYSA-N
MW366.48 g/mol
LogP1.58
Rot. Bonds4

About 1-[8-(benzenesulfonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone

1-[8-(benzenesulfonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone (PubChem CID 91922160) has the molecular formula C18H26N2O4S and a molecular weight of 366.48 g/mol. Its IUPAC name is 1-[8-(benzenesulfonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone.

Molecular Properties

Compound Name1-[8-(benzenesulfonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
PubChem CID91922160
Molecular FormulaC18H26N2O4S
Molecular Weight366.48 g/mol
Exact Mass366.16
IUPAC Name1-[8-(benzenesulfonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
SMILESCOCC1CN(C(C)=O)CC12CCN(S(=O)(=O)c1ccccc1)CC2
InChIInChI=1S/C18H26N2O4S/c1-15(21)19-12-16(13-24-2)18(14-19)8-10-20(11-9-18)25(22,23)17-6-4-3-5-7-17/h3-7,16H,8-14H2,1-2H3
InChIKeySRFFDPPNHFXBTR-UHFFFAOYSA-N
XLogP1.58
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[8-(benzenesulfonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
The IUPAC name of 1-[8-(benzenesulfonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone (CID 91922160) is 1-[8-(benzenesulfonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone.
What is the SMILES notation for 1-[8-(benzenesulfonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
The canonical SMILES for 1-[8-(benzenesulfonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone is COCC1CN(C(C)=O)CC12CCN(S(=O)(=O)c1ccccc1)CC2.
What is the InChIKey of 1-[8-(benzenesulfonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
The InChIKey is SRFFDPPNHFXBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4S/c1-15(21)19-12-16(13-24-2)18(14-19)8-10-20(11-9-18)25(22,23)17-6-4-3-5-7-17/h3-7,16H,8-14H2,1-2H3.
What are the key properties of 1-[8-(benzenesulfonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
1-[8-(benzenesulfonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone has a molecular weight of 366.48 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(benzenesulfonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone is sourced from PubChem (CID 91922160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).