8-(3-chloropropylsulfonyl)-1,4-dioxa-8-azaspiro[4.5]decane

C10H18ClNO4S — CID 103638881

IUPAC8-(3-chloropropylsulfonyl)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESO=S(=O)(CCCCl)N1CCC2(CC1)OCCO2
InChIInChI=1S/C10H18ClNO4S/c11-4-1-9-17(13,14)12-5-2-10(3-6-12)15-7-8-16-10/h1-9H2
InChIKeySVEVVGGKOSTHDM-UHFFFAOYSA-N
MW283.78 g/mol
LogP0.78
Rot. Bonds4

About 8-(3-chloropropylsulfonyl)-1,4-dioxa-8-azaspiro[4.5]decane

8-(3-chloropropylsulfonyl)-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 103638881) has the molecular formula C10H18ClNO4S and a molecular weight of 283.78 g/mol. Its IUPAC name is 8-(3-chloropropylsulfonyl)-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(3-chloropropylsulfonyl)-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID103638881
Molecular FormulaC10H18ClNO4S
Molecular Weight283.78 g/mol
Exact Mass283.06
IUPAC Name8-(3-chloropropylsulfonyl)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESO=S(=O)(CCCCl)N1CCC2(CC1)OCCO2
InChIInChI=1S/C10H18ClNO4S/c11-4-1-9-17(13,14)12-5-2-10(3-6-12)15-7-8-16-10/h1-9H2
InChIKeySVEVVGGKOSTHDM-UHFFFAOYSA-N
XLogP0.78
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.78
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

8-butylsulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 17377912
3-(3-chloropropylsulfonyl)-7,8,16,17-tetraoxa-3-azadispiro[5.2.69.26]heptadecane
CID 171356739
4-(3-chloropropylsulfonyl)piperazine-1-sulfonamide
CID 61248403
[3-(hydroxymethyl)-9-octylsulfonyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl]methanol
CID 102324781
ethyl 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)acetate
CID 78931811
8-[(4-fluorophenyl)methylsulfonyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 35398957
[1-(3-chloropropylsulfonyl)azetidin-3-yl]methanol
CID 107858946
1-(4-chlorobutylsulfonyl)-4-methylpiperidine
CID 28704646
N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)ethyl]-3,4-dimethoxybenzamide
CID 7618765
12-propylsulfonyl-7,8,15,16-tetraoxa-12-azadispiro[5.2.59.26]hexadecane
CID 171348273
3,3-dimethyl-9-propylsulfonyl-1,2,4,5-tetraoxa-9-azaspiro[5.5]undecane
CID 171354931
3-(4,4-dimethylpiperidin-1-yl)sulfonylpropan-1-amine
CID 62936725

Frequently Asked Questions

What is the IUPAC name of 8-(3-chloropropylsulfonyl)-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-(3-chloropropylsulfonyl)-1,4-dioxa-8-azaspiro[4.5]decane (CID 103638881) is 8-(3-chloropropylsulfonyl)-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(3-chloropropylsulfonyl)-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(3-chloropropylsulfonyl)-1,4-dioxa-8-azaspiro[4.5]decane is O=S(=O)(CCCCl)N1CCC2(CC1)OCCO2.
What is the InChIKey of 8-(3-chloropropylsulfonyl)-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is SVEVVGGKOSTHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO4S/c11-4-1-9-17(13,14)12-5-2-10(3-6-12)15-7-8-16-10/h1-9H2.
What are the key properties of 8-(3-chloropropylsulfonyl)-1,4-dioxa-8-azaspiro[4.5]decane?
8-(3-chloropropylsulfonyl)-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 283.78 g/mol, XLogP of 0.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-chloropropylsulfonyl)-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 103638881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).