3-(diethylaminomethyl)thiolan-3-ol

C9H19NOS — CID 84732966

IUPAC3-(diethylaminomethyl)thiolan-3-ol
SMILESCCN(CC)CC1(O)CCSC1
InChIInChI=1S/C9H19NOS/c1-3-10(4-2)7-9(11)5-6-12-8-9/h11H,3-8H2,1-2H3
InChIKeyGITSXZORPANZTL-UHFFFAOYSA-N
MW189.32 g/mol
LogP1.20
Rot. Bonds4

About 3-(diethylaminomethyl)thiolan-3-ol

3-(diethylaminomethyl)thiolan-3-ol (PubChem CID 84732966) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is 3-(diethylaminomethyl)thiolan-3-ol.

Molecular Properties

Compound Name3-(diethylaminomethyl)thiolan-3-ol
PubChem CID84732966
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC Name3-(diethylaminomethyl)thiolan-3-ol
SMILESCCN(CC)CC1(O)CCSC1
InChIInChI=1S/C9H19NOS/c1-3-10(4-2)7-9(11)5-6-12-8-9/h11H,3-8H2,1-2H3
InChIKeyGITSXZORPANZTL-UHFFFAOYSA-N
XLogP1.20
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-Tert-butylsulfanylethyl)-3-(trifluoromethyl)pyrrolidin-3-ol
CID 121526307
(3S)-1-(2-tert-butylsulfanylethyl)-3-(trifluoromethyl)pyrrolidin-3-ol
CID 124844651
(3R)-1-(2-tert-butylsulfanylethyl)-3-(trifluoromethyl)pyrrolidin-3-ol
CID 124844652
2-(3-Methyl-1,3-thiazolidin-2-yl)propan-2-ol
CID 123284658
2-[(2R)-2,3-dimethyl-1,3-thiazolidin-4-yl]propan-2-ol
CID 146613290
2-Methyl-1-[methyl(thiolan-3-yl)amino]propan-2-ol
CID 60883838
1-(2-Ethylthiomorpholin-4-yl)-2-methylpropan-2-ol
CID 71988549
4-[2-(Diethylamino)ethylsulfanyl]-2-methylbutan-2-ol
CID 79359910
2-Methyl-4-[methyl(thiolan-3-yl)amino]butan-2-ol
CID 79361635
3-[(Dimethylamino)methyl]thiolan-3-ol
CID 84731513
3-(Azetidin-1-ylmethyl)thiolan-3-ol
CID 84732029
4-[(Dimethylamino)methyl]thian-4-ol
CID 84732088

Frequently Asked Questions

What is the IUPAC name of 3-(diethylaminomethyl)thiolan-3-ol?
The IUPAC name of 3-(diethylaminomethyl)thiolan-3-ol (CID 84732966) is 3-(diethylaminomethyl)thiolan-3-ol.
What is the SMILES notation for 3-(diethylaminomethyl)thiolan-3-ol?
The canonical SMILES for 3-(diethylaminomethyl)thiolan-3-ol is CCN(CC)CC1(O)CCSC1.
What is the InChIKey of 3-(diethylaminomethyl)thiolan-3-ol?
The InChIKey is GITSXZORPANZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS/c1-3-10(4-2)7-9(11)5-6-12-8-9/h11H,3-8H2,1-2H3.
What are the key properties of 3-(diethylaminomethyl)thiolan-3-ol?
3-(diethylaminomethyl)thiolan-3-ol has a molecular weight of 189.32 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylaminomethyl)thiolan-3-ol is sourced from PubChem (CID 84732966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).