3-(2,7-diazaspiro[4.4]nonan-2-yl)thiolane 1,1-dioxide

C11H20N2O2S — CID 117028699

IUPAC3-(2,7-diazaspiro[4.4]nonan-2-yl)thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(N2CCC3(CCNC3)C2)C1
InChIInChI=1S/C11H20N2O2S/c14-16(15)6-1-10(7-16)13-5-3-11(9-13)2-4-12-8-11/h10,12H,1-9H2
InChIKeyPWLOCQSSSSMTAB-UHFFFAOYSA-N
MW244.36 g/mol
LogP-0.14
Rot. Bonds1

About 3-(2,7-diazaspiro[4.4]nonan-2-yl)thiolane 1,1-dioxide

3-(2,7-diazaspiro[4.4]nonan-2-yl)thiolane 1,1-dioxide (PubChem CID 117028699) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 3-(2,7-diazaspiro[4.4]nonan-2-yl)thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-(2,7-diazaspiro[4.4]nonan-2-yl)thiolane 1,1-dioxide
PubChem CID117028699
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC Name3-(2,7-diazaspiro[4.4]nonan-2-yl)thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(N2CCC3(CCNC3)C2)C1
InChIInChI=1S/C11H20N2O2S/c14-16(15)6-1-10(7-16)13-5-3-11(9-13)2-4-12-8-11/h10,12H,1-9H2
InChIKeyPWLOCQSSSSMTAB-UHFFFAOYSA-N
XLogP-0.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,8-diazaspiro[5.5]undecan-2-yl)thiane 1,1-dioxide
CID 102849442
3-(1,4-diazaspiro[5.5]undecan-4-yl)thiolane 1,1-dioxide
CID 64925182
3-(3,3-difluoropyrrolidin-1-yl)thiolane 1,1-dioxide
CID 117007587
2-cycloheptyl-2,8-diazaspiro[4.5]decane
CID 82476519
3-(3,3-dimethyl-1,4-diazepan-1-yl)thiane 1,1-dioxide
CID 64951788
3-[4-(azetidin-3-yl)piperazin-1-yl]thiolane 1,1-dioxide
CID 66203857
7-cyclopentyl-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide
CID 168907014
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)thiolane 1,1-dioxide
CID 78981307
1-(1,1-dioxothiolan-3-yl)piperidine-4,4-dicarbonitrile
CID 117007905
2-methyl-2,7-diazaspiro[4.4]nonane;propane
CID 169170198
1-(1,1-dioxothiolan-3-yl)piperidin-3-amine
CID 61297087
2-(oxan-4-yl)-2,8-diazaspiro[4.5]decane
CID 169161347

Frequently Asked Questions

What is the IUPAC name of 3-(2,7-diazaspiro[4.4]nonan-2-yl)thiolane 1,1-dioxide?
The IUPAC name of 3-(2,7-diazaspiro[4.4]nonan-2-yl)thiolane 1,1-dioxide (CID 117028699) is 3-(2,7-diazaspiro[4.4]nonan-2-yl)thiolane 1,1-dioxide.
What is the SMILES notation for 3-(2,7-diazaspiro[4.4]nonan-2-yl)thiolane 1,1-dioxide?
The canonical SMILES for 3-(2,7-diazaspiro[4.4]nonan-2-yl)thiolane 1,1-dioxide is O=S1(=O)CCC(N2CCC3(CCNC3)C2)C1.
What is the InChIKey of 3-(2,7-diazaspiro[4.4]nonan-2-yl)thiolane 1,1-dioxide?
The InChIKey is PWLOCQSSSSMTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c14-16(15)6-1-10(7-16)13-5-3-11(9-13)2-4-12-8-11/h10,12H,1-9H2.
What are the key properties of 3-(2,7-diazaspiro[4.4]nonan-2-yl)thiolane 1,1-dioxide?
3-(2,7-diazaspiro[4.4]nonan-2-yl)thiolane 1,1-dioxide has a molecular weight of 244.36 g/mol, XLogP of -0.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,7-diazaspiro[4.4]nonan-2-yl)thiolane 1,1-dioxide is sourced from PubChem (CID 117028699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).