[3-[2-(diethylamino)ethylamino]thiolan-3-yl]methanol

C11H24N2OS — CID 61050017

IUPAC[3-[2-(diethylamino)ethylamino]thiolan-3-yl]methanol
SMILESCCN(CC)CCNC1(CO)CCSC1
InChIInChI=1S/C11H24N2OS/c1-3-13(4-2)7-6-12-11(9-14)5-8-15-10-11/h12,14H,3-10H2,1-2H3
InChIKeyDVNREOGVIILUKF-UHFFFAOYSA-N
MW232.39 g/mol
LogP0.79
Rot. Bonds7

About [3-[2-(diethylamino)ethylamino]thiolan-3-yl]methanol

[3-[2-(diethylamino)ethylamino]thiolan-3-yl]methanol (PubChem CID 61050017) has the molecular formula C11H24N2OS and a molecular weight of 232.39 g/mol. Its IUPAC name is [3-[2-(diethylamino)ethylamino]thiolan-3-yl]methanol.

Molecular Properties

Compound Name[3-[2-(diethylamino)ethylamino]thiolan-3-yl]methanol
PubChem CID61050017
Molecular FormulaC11H24N2OS
Molecular Weight232.39 g/mol
Exact Mass232.16
IUPAC Name[3-[2-(diethylamino)ethylamino]thiolan-3-yl]methanol
SMILESCCN(CC)CCNC1(CO)CCSC1
InChIInChI=1S/C11H24N2OS/c1-3-13(4-2)7-6-12-11(9-14)5-8-15-10-11/h12,14H,3-10H2,1-2H3
InChIKeyDVNREOGVIILUKF-UHFFFAOYSA-N
XLogP0.79
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.39
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[2-(diethylamino)ethylamino]thiolan-3-yl]methanol?
The IUPAC name of [3-[2-(diethylamino)ethylamino]thiolan-3-yl]methanol (CID 61050017) is [3-[2-(diethylamino)ethylamino]thiolan-3-yl]methanol.
What is the SMILES notation for [3-[2-(diethylamino)ethylamino]thiolan-3-yl]methanol?
The canonical SMILES for [3-[2-(diethylamino)ethylamino]thiolan-3-yl]methanol is CCN(CC)CCNC1(CO)CCSC1.
What is the InChIKey of [3-[2-(diethylamino)ethylamino]thiolan-3-yl]methanol?
The InChIKey is DVNREOGVIILUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2OS/c1-3-13(4-2)7-6-12-11(9-14)5-8-15-10-11/h12,14H,3-10H2,1-2H3.
What are the key properties of [3-[2-(diethylamino)ethylamino]thiolan-3-yl]methanol?
[3-[2-(diethylamino)ethylamino]thiolan-3-yl]methanol has a molecular weight of 232.39 g/mol, XLogP of 0.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(diethylamino)ethylamino]thiolan-3-yl]methanol is sourced from PubChem (CID 61050017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).