4-[(dimethylamino)methyl]thian-4-ol

C8H17NOS — CID 84732088

IUPAC4-[(dimethylamino)methyl]thian-4-ol
SMILESCN(C)CC1(O)CCSCC1
InChIInChI=1S/C8H17NOS/c1-9(2)7-8(10)3-5-11-6-4-8/h10H,3-7H2,1-2H3
InChIKeyDIQGTSDROTYUJU-UHFFFAOYSA-N
MW175.30 g/mol
LogP0.81
Rot. Bonds2

About 4-[(dimethylamino)methyl]thian-4-ol

4-[(dimethylamino)methyl]thian-4-ol (PubChem CID 84732088) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is 4-[(dimethylamino)methyl]thian-4-ol.

Molecular Properties

Compound Name4-[(dimethylamino)methyl]thian-4-ol
PubChem CID84732088
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC Name4-[(dimethylamino)methyl]thian-4-ol
SMILESCN(C)CC1(O)CCSCC1
InChIInChI=1S/C8H17NOS/c1-9(2)7-8(10)3-5-11-6-4-8/h10H,3-7H2,1-2H3
InChIKeyDIQGTSDROTYUJU-UHFFFAOYSA-N
XLogP0.81
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-1-thiomorpholin-4-ylpentan-2-ol
CID 69729823
4-[(Methylamino)methyl]thian-4-ol
CID 84731512
2-Methyl-1-(4-methylsulfanylpiperidin-1-yl)propan-2-ol
CID 130490428
(3S)-3-[(dimethylamino)methyl]-4-methylthian-4-ol
CID 164787812
1-(2-Ethylthiomorpholin-4-yl)-2-methylpropan-2-ol
CID 71988549
1-Methyl-3-(thian-4-yl)azetidin-3-ol
CID 83817741
3-[(Dimethylamino)methyl]thian-3-ol
CID 84732089
4-(Azetidin-1-ylmethyl)thian-4-ol
CID 84732871
4-[2-(Dimethylamino)ethyl]thian-4-ol
CID 84732964
3-[2-(Dimethylamino)ethyl]thian-3-ol
CID 84732965
3-(Diethylaminomethyl)thiolan-3-ol
CID 84732966
4-(Pyrrolidin-1-ylmethyl)thian-4-ol
CID 84733860

Frequently Asked Questions

What is the IUPAC name of 4-[(dimethylamino)methyl]thian-4-ol?
The IUPAC name of 4-[(dimethylamino)methyl]thian-4-ol (CID 84732088) is 4-[(dimethylamino)methyl]thian-4-ol.
What is the SMILES notation for 4-[(dimethylamino)methyl]thian-4-ol?
The canonical SMILES for 4-[(dimethylamino)methyl]thian-4-ol is CN(C)CC1(O)CCSCC1.
What is the InChIKey of 4-[(dimethylamino)methyl]thian-4-ol?
The InChIKey is DIQGTSDROTYUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS/c1-9(2)7-8(10)3-5-11-6-4-8/h10H,3-7H2,1-2H3.
What are the key properties of 4-[(dimethylamino)methyl]thian-4-ol?
4-[(dimethylamino)methyl]thian-4-ol has a molecular weight of 175.30 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylamino)methyl]thian-4-ol is sourced from PubChem (CID 84732088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).