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

C9H20N2OS — CID 61053902

IUPAC[3-[2-(dimethylamino)ethylamino]thiolan-3-yl]methanol
SMILESCN(C)CCNC1(CO)CCSC1
InChIInChI=1S/C9H20N2OS/c1-11(2)5-4-10-9(7-12)3-6-13-8-9/h10,12H,3-8H2,1-2H3
InChIKeyFFSURWFGJXMOHV-UHFFFAOYSA-N
MW204.34 g/mol
LogP0.01
Rot. Bonds5

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

[3-[2-(dimethylamino)ethylamino]thiolan-3-yl]methanol (PubChem CID 61053902) has the molecular formula C9H20N2OS and a molecular weight of 204.34 g/mol. Its IUPAC name is [3-[2-(dimethylamino)ethylamino]thiolan-3-yl]methanol.

Molecular Properties

Compound Name[3-[2-(dimethylamino)ethylamino]thiolan-3-yl]methanol
PubChem CID61053902
Molecular FormulaC9H20N2OS
Molecular Weight204.34 g/mol
Exact Mass204.13
IUPAC Name[3-[2-(dimethylamino)ethylamino]thiolan-3-yl]methanol
SMILESCN(C)CCNC1(CO)CCSC1
InChIInChI=1S/C9H20N2OS/c1-11(2)5-4-10-9(7-12)3-6-13-8-9/h10,12H,3-8H2,1-2H3
InChIKeyFFSURWFGJXMOHV-UHFFFAOYSA-N
XLogP0.01
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[2-(dimethylamino)ethylamino]thiolan-3-yl]methanol?
The IUPAC name of [3-[2-(dimethylamino)ethylamino]thiolan-3-yl]methanol (CID 61053902) is [3-[2-(dimethylamino)ethylamino]thiolan-3-yl]methanol.
What is the SMILES notation for [3-[2-(dimethylamino)ethylamino]thiolan-3-yl]methanol?
The canonical SMILES for [3-[2-(dimethylamino)ethylamino]thiolan-3-yl]methanol is CN(C)CCNC1(CO)CCSC1.
What is the InChIKey of [3-[2-(dimethylamino)ethylamino]thiolan-3-yl]methanol?
The InChIKey is FFSURWFGJXMOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2OS/c1-11(2)5-4-10-9(7-12)3-6-13-8-9/h10,12H,3-8H2,1-2H3.
What are the key properties of [3-[2-(dimethylamino)ethylamino]thiolan-3-yl]methanol?
[3-[2-(dimethylamino)ethylamino]thiolan-3-yl]methanol has a molecular weight of 204.34 g/mol, XLogP of 0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(dimethylamino)ethylamino]thiolan-3-yl]methanol is sourced from PubChem (CID 61053902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).