(6S)-8-prop-2-enyl-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane

C15H23N3O2S — CID 97373052

IUPAC(6S)-8-prop-2-enyl-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
SMILESC=CCN1CCOC[C@]2(C1)CN(Cc1nccs1)CCO2
InChIInChI=1S/C15H23N3O2S/c1-2-4-17-5-7-19-13-15(11-17)12-18(6-8-20-15)10-14-16-3-9-21-14/h2-3,9H,1,4-8,10-13H2/t15-/m0/s1
InChIKeyUSBLKMMTNCJXID-HNNXBMFYSA-N
MW309.43 g/mol
LogP1.23
Rot. Bonds4

About (6S)-8-prop-2-enyl-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane

(6S)-8-prop-2-enyl-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane (PubChem CID 97373052) has the molecular formula C15H23N3O2S and a molecular weight of 309.43 g/mol. Its IUPAC name is (6S)-8-prop-2-enyl-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name(6S)-8-prop-2-enyl-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
PubChem CID97373052
Molecular FormulaC15H23N3O2S
Molecular Weight309.43 g/mol
Exact Mass309.15
IUPAC Name(6S)-8-prop-2-enyl-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
SMILESC=CCN1CCOC[C@]2(C1)CN(Cc1nccs1)CCO2
InChIInChI=1S/C15H23N3O2S/c1-2-4-17-5-7-19-13-15(11-17)12-18(6-8-20-15)10-14-16-3-9-21-14/h2-3,9H,1,4-8,10-13H2/t15-/m0/s1
InChIKeyUSBLKMMTNCJXID-HNNXBMFYSA-N
XLogP1.23
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

8-Methylsulfonyl-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 118743931
8-Propan-2-yl-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 118746450
N,N-dimethyl-2-[4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanamine
CID 118747132
8-Prop-2-enyl-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane;bis(2,2,2-trifluoroacetic acid)
CID 155825516
1-[4-(1,3-Thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanone
CID 131639833
8-Prop-2-enyl-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 131662866
8-(2-Methoxyethyl)-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 134072858
6-(Pyrrolidin-1-ylmethyl)-4-(1,3-thiazol-2-ylmethyl)-1,4-oxazepan-6-ol
CID 70738978
(6S)-6-(pyrrolidin-1-ylmethyl)-4-(1,3-thiazol-2-ylmethyl)-1,4-oxazepan-6-ol
CID 96386660
(6R)-6-(pyrrolidin-1-ylmethyl)-4-(1,3-thiazol-2-ylmethyl)-1,4-oxazepan-6-ol
CID 96386664
(6S)-8-propan-2-yl-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 97372987
(6R)-8-propan-2-yl-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 97372988

Frequently Asked Questions

What is the IUPAC name of (6S)-8-prop-2-enyl-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The IUPAC name of (6S)-8-prop-2-enyl-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane (CID 97373052) is (6S)-8-prop-2-enyl-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane.
What is the SMILES notation for (6S)-8-prop-2-enyl-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The canonical SMILES for (6S)-8-prop-2-enyl-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane is C=CCN1CCOC[C@]2(C1)CN(Cc1nccs1)CCO2.
What is the InChIKey of (6S)-8-prop-2-enyl-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The InChIKey is USBLKMMTNCJXID-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-2-4-17-5-7-19-13-15(11-17)12-18(6-8-20-15)10-14-16-3-9-21-14/h2-3,9H,1,4-8,10-13H2/t15-/m0/s1.
What are the key properties of (6S)-8-prop-2-enyl-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
(6S)-8-prop-2-enyl-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane has a molecular weight of 309.43 g/mol, XLogP of 1.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-8-prop-2-enyl-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane is sourced from PubChem (CID 97373052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).