3-[(dimethylamino)methyl]thian-3-ol

C8H17NOS — CID 84732089

IUPAC3-[(dimethylamino)methyl]thian-3-ol
SMILESCN(C)CC1(O)CCCSC1
InChIInChI=1S/C8H17NOS/c1-9(2)6-8(10)4-3-5-11-7-8/h10H,3-7H2,1-2H3
InChIKeyRXXVXACIFCKZEN-UHFFFAOYSA-N
MW175.30 g/mol
LogP0.81
Rot. Bonds2

About 3-[(dimethylamino)methyl]thian-3-ol

3-[(dimethylamino)methyl]thian-3-ol (PubChem CID 84732089) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]thian-3-ol.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]thian-3-ol
PubChem CID84732089
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC Name3-[(dimethylamino)methyl]thian-3-ol
SMILESCN(C)CC1(O)CCCSC1
InChIInChI=1S/C8H17NOS/c1-9(2)6-8(10)4-3-5-11-7-8/h10H,3-7H2,1-2H3
InChIKeyRXXVXACIFCKZEN-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
3-(Methylaminomethyl)thian-3-ol
CID 84731511
2-Methyl-1-(4-methylsulfanylpiperidin-1-yl)propan-2-ol
CID 130490428
(3S)-3-methyl-1-[1-(thietan-2-yl)ethyl]piperidin-3-ol
CID 156168274
(3S)-3-[(dimethylamino)methyl]-4-methylthian-4-ol
CID 164787812
(3R)-3-[(dimethylamino)methyl]-1-(1-methylsulfanylethyl)piperidin-3-ol
CID 169692452
1-[(2,6-Dimethylthiomorpholin-4-yl)methyl]cyclopentan-1-ol
CID 65212894
1-Methyl-3-(thian-4-yl)azetidin-3-ol
CID 83817741
4-[(Dimethylamino)methyl]thian-4-ol
CID 84732088
3-(Azetidin-1-ylmethyl)thian-3-ol
CID 84732872
4-[2-(Dimethylamino)ethyl]thian-4-ol
CID 84732964
3-[2-(Dimethylamino)ethyl]thian-3-ol
CID 84732965

Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]thian-3-ol?
The IUPAC name of 3-[(dimethylamino)methyl]thian-3-ol (CID 84732089) is 3-[(dimethylamino)methyl]thian-3-ol.
What is the SMILES notation for 3-[(dimethylamino)methyl]thian-3-ol?
The canonical SMILES for 3-[(dimethylamino)methyl]thian-3-ol is CN(C)CC1(O)CCCSC1.
What is the InChIKey of 3-[(dimethylamino)methyl]thian-3-ol?
The InChIKey is RXXVXACIFCKZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS/c1-9(2)6-8(10)4-3-5-11-7-8/h10H,3-7H2,1-2H3.
What are the key properties of 3-[(dimethylamino)methyl]thian-3-ol?
3-[(dimethylamino)methyl]thian-3-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 3-[(dimethylamino)methyl]thian-3-ol is sourced from PubChem (CID 84732089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).