4-[2-(dimethylamino)ethyl]thian-4-ol

C9H19NOS — CID 84732964

IUPAC4-[2-(dimethylamino)ethyl]thian-4-ol
SMILESCN(C)CCC1(O)CCSCC1
InChIInChI=1S/C9H19NOS/c1-10(2)6-3-9(11)4-7-12-8-5-9/h11H,3-8H2,1-2H3
InChIKeyKHKIIFCLGDFHNE-UHFFFAOYSA-N
MW189.32 g/mol
LogP1.20
Rot. Bonds3

About 4-[2-(dimethylamino)ethyl]thian-4-ol

4-[2-(dimethylamino)ethyl]thian-4-ol (PubChem CID 84732964) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethyl]thian-4-ol.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethyl]thian-4-ol
PubChem CID84732964
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC Name4-[2-(dimethylamino)ethyl]thian-4-ol
SMILESCN(C)CCC1(O)CCSCC1
InChIInChI=1S/C9H19NOS/c1-10(2)6-3-9(11)4-7-12-8-5-9/h11H,3-8H2,1-2H3
InChIKeyKHKIIFCLGDFHNE-UHFFFAOYSA-N
XLogP1.20
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

4-ethylthian-4-ol
CID 83681865
1-[3-(dimethylamino)propyl]cyclopentan-1-ol
CID 115073760
N'-[4-(aminomethyl)thian-4-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 63693232
3-[2-(dimethylamino)ethyl]-9-thiabicyclo[3.3.1]nonan-3-ol
CID 171952013
[4-[2-(dimethylamino)ethylamino]thian-4-yl]methanol
CID 61337984
1-[2-[methyl(prop-2-ynyl)amino]ethyl]cyclopropan-1-ol
CID 131222866
[1-[2-(dimethylamino)ethyl]cyclopropyl]methanol
CID 130950587
1-[3-(1-hydroxycyclopropyl)propyl]cyclopropan-1-ol
CID 916078
N-[(4-hydroxythian-4-yl)methyl]methanesulfonamide
CID 130645691
1-[2-[methyl(pyrrolidin-3-yl)amino]ethyl]cyclopropan-1-ol
CID 84659730
4-[2-[3-(dimethylamino)propyl]-7H-indol-6-yl]thian-4-ol
CID 70188499
1-[3-(dimethylamino)propyl]cyclohexan-1-amine
CID 115074301

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethyl]thian-4-ol?
The IUPAC name of 4-[2-(dimethylamino)ethyl]thian-4-ol (CID 84732964) is 4-[2-(dimethylamino)ethyl]thian-4-ol.
What is the SMILES notation for 4-[2-(dimethylamino)ethyl]thian-4-ol?
The canonical SMILES for 4-[2-(dimethylamino)ethyl]thian-4-ol is CN(C)CCC1(O)CCSCC1.
What is the InChIKey of 4-[2-(dimethylamino)ethyl]thian-4-ol?
The InChIKey is KHKIIFCLGDFHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS/c1-10(2)6-3-9(11)4-7-12-8-5-9/h11H,3-8H2,1-2H3.
What are the key properties of 4-[2-(dimethylamino)ethyl]thian-4-ol?
4-[2-(dimethylamino)ethyl]thian-4-ol has a molecular weight of 189.32 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethyl]thian-4-ol is sourced from PubChem (CID 84732964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).