(3S)-3-[3-(1,3-dithian-2-yl)propyl]-1,4-dioxaspiro[4.5]decane

C15H26O2S2 — CID 134878056

IUPAC(3S)-3-[3-(1,3-dithian-2-yl)propyl]-1,4-dioxaspiro[4.5]decane
SMILESC1CCC2(CC1)OC[C@H](CCCC1SCCCS1)O2
InChIInChI=1S/C15H26O2S2/c1-2-8-15(9-3-1)16-12-13(17-15)6-4-7-14-18-10-5-11-19-14/h13-14H,1-12H2/t13-/m0/s1
InChIKeyBGCNYUVHOMETRP-ZDUSSCGKSA-N
MW302.50 g/mol
LogP4.43
Rot. Bonds4

About (3S)-3-[3-(1,3-dithian-2-yl)propyl]-1,4-dioxaspiro[4.5]decane

(3S)-3-[3-(1,3-dithian-2-yl)propyl]-1,4-dioxaspiro[4.5]decane (PubChem CID 134878056) has the molecular formula C15H26O2S2 and a molecular weight of 302.50 g/mol. Its IUPAC name is (3S)-3-[3-(1,3-dithian-2-yl)propyl]-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name(3S)-3-[3-(1,3-dithian-2-yl)propyl]-1,4-dioxaspiro[4.5]decane
PubChem CID134878056
Molecular FormulaC15H26O2S2
Molecular Weight302.50 g/mol
Exact Mass302.14
IUPAC Name(3S)-3-[3-(1,3-dithian-2-yl)propyl]-1,4-dioxaspiro[4.5]decane
SMILESC1CCC2(CC1)OC[C@H](CCCC1SCCCS1)O2
InChIInChI=1S/C15H26O2S2/c1-2-8-15(9-3-1)16-12-13(17-15)6-4-7-14-18-10-5-11-19-14/h13-14H,1-12H2/t13-/m0/s1
InChIKeyBGCNYUVHOMETRP-ZDUSSCGKSA-N
XLogP4.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.50
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3S)-3-[3-(1,3-dithian-2-yl)propyl]-1,4-dioxaspiro[4.5]decane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[3-(1,3-dithian-2-yl)propyl]-1,4-dioxaspiro[4.5]decane?
The IUPAC name of (3S)-3-[3-(1,3-dithian-2-yl)propyl]-1,4-dioxaspiro[4.5]decane (CID 134878056) is (3S)-3-[3-(1,3-dithian-2-yl)propyl]-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for (3S)-3-[3-(1,3-dithian-2-yl)propyl]-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for (3S)-3-[3-(1,3-dithian-2-yl)propyl]-1,4-dioxaspiro[4.5]decane is C1CCC2(CC1)OC[C@H](CCCC1SCCCS1)O2.
What is the InChIKey of (3S)-3-[3-(1,3-dithian-2-yl)propyl]-1,4-dioxaspiro[4.5]decane?
The InChIKey is BGCNYUVHOMETRP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H26O2S2/c1-2-8-15(9-3-1)16-12-13(17-15)6-4-7-14-18-10-5-11-19-14/h13-14H,1-12H2/t13-/m0/s1.
What are the key properties of (3S)-3-[3-(1,3-dithian-2-yl)propyl]-1,4-dioxaspiro[4.5]decane?
(3S)-3-[3-(1,3-dithian-2-yl)propyl]-1,4-dioxaspiro[4.5]decane has a molecular weight of 302.50 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[3-(1,3-dithian-2-yl)propyl]-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 134878056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).