4-cyclopropylsulfonyl-8-(2-methoxyethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane

C14H26N2O5S — CID 155872453

IUPAC4-cyclopropylsulfonyl-8-(2-methoxyethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
SMILESCOCCN1CCOCC2(C1)CN(S(=O)(=O)C1CC1)CCO2
InChIInChI=1S/C14H26N2O5S/c1-19-7-4-15-5-8-20-12-14(10-15)11-16(6-9-21-14)22(17,18)13-2-3-13/h13H,2-12H2,1H3
InChIKeyHZZXMFQGGSPYOE-UHFFFAOYSA-N
MW334.44 g/mol
LogP-0.47
Rot. Bonds5

About 4-cyclopropylsulfonyl-8-(2-methoxyethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane

4-cyclopropylsulfonyl-8-(2-methoxyethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane (PubChem CID 155872453) has the molecular formula C14H26N2O5S and a molecular weight of 334.44 g/mol. Its IUPAC name is 4-cyclopropylsulfonyl-8-(2-methoxyethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name4-cyclopropylsulfonyl-8-(2-methoxyethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
PubChem CID155872453
Molecular FormulaC14H26N2O5S
Molecular Weight334.44 g/mol
Exact Mass334.16
IUPAC Name4-cyclopropylsulfonyl-8-(2-methoxyethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
SMILESCOCCN1CCOCC2(C1)CN(S(=O)(=O)C1CC1)CCO2
InChIInChI=1S/C14H26N2O5S/c1-19-7-4-15-5-8-20-12-14(10-15)11-16(6-9-21-14)22(17,18)13-2-3-13/h13H,2-12H2,1H3
InChIKeyHZZXMFQGGSPYOE-UHFFFAOYSA-N
XLogP-0.47
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 5-0.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

8-cyclopropylsulfonyl-4-(furan-3-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 134070478
2-[4-(2-methoxyethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]-N-methylacetamide
CID 134079078
(6S)-8-cyclopropylsulfonyl-4-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 97398458
8-cyclopropylsulfonyl-4-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 118739220
4-(cyclohexylmethyl)-8-methylsulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 155875510
(5S)-10-ethylsulfonyl-2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97406862
1-[8-(2-methoxyethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-phenylethanone
CID 134072862
(6S)-4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 95717928
(6S)-4-[(4-methoxyphenyl)methyl]-8-methylsulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 97373139
ethane;4-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethyl]morpholine
CID 143677740
N,N-dimethyl-2-[(6S)-4-methylsulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]acetamide
CID 97398407
8-cyclopropylsulfonyl-4-(1-methylpyrazol-4-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 133139681

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropylsulfonyl-8-(2-methoxyethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The IUPAC name of 4-cyclopropylsulfonyl-8-(2-methoxyethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane (CID 155872453) is 4-cyclopropylsulfonyl-8-(2-methoxyethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane.
What is the SMILES notation for 4-cyclopropylsulfonyl-8-(2-methoxyethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The canonical SMILES for 4-cyclopropylsulfonyl-8-(2-methoxyethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane is COCCN1CCOCC2(C1)CN(S(=O)(=O)C1CC1)CCO2.
What is the InChIKey of 4-cyclopropylsulfonyl-8-(2-methoxyethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The InChIKey is HZZXMFQGGSPYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O5S/c1-19-7-4-15-5-8-20-12-14(10-15)11-16(6-9-21-14)22(17,18)13-2-3-13/h13H,2-12H2,1H3.
What are the key properties of 4-cyclopropylsulfonyl-8-(2-methoxyethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
4-cyclopropylsulfonyl-8-(2-methoxyethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane has a molecular weight of 334.44 g/mol, XLogP of -0.47, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropylsulfonyl-8-(2-methoxyethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane is sourced from PubChem (CID 155872453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).