3-[2-(dimethylamino)ethyl]thian-3-amine

C9H20N2S — CID 84732904

IUPAC3-[2-(dimethylamino)ethyl]thian-3-amine
SMILESCN(C)CCC1(N)CCCSC1
InChIInChI=1S/C9H20N2S/c1-11(2)6-5-9(10)4-3-7-12-8-9/h3-8,10H2,1-2H3
InChIKeyNATQMHLUOMWLQY-UHFFFAOYSA-N
MW188.34 g/mol
LogP1.16
Rot. Bonds3

About 3-[2-(dimethylamino)ethyl]thian-3-amine

3-[2-(dimethylamino)ethyl]thian-3-amine (PubChem CID 84732904) has the molecular formula C9H20N2S and a molecular weight of 188.34 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl]thian-3-amine.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl]thian-3-amine
PubChem CID84732904
Molecular FormulaC9H20N2S
Molecular Weight188.34 g/mol
Exact Mass188.13
IUPAC Name3-[2-(dimethylamino)ethyl]thian-3-amine
SMILESCN(C)CCC1(N)CCCSC1
InChIInChI=1S/C9H20N2S/c1-11(2)6-5-9(10)4-3-7-12-8-9/h3-8,10H2,1-2H3
InChIKeyNATQMHLUOMWLQY-UHFFFAOYSA-N
XLogP1.16
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-aminoethyl)-N,N-dimethyltetrahydro-2H-thiopyran-4-amine
CID 10845314
4-(2-aminoethyl)-N-methylthian-4-amine
CID 139719644
4-Methyl-1-(1-methylsulfanylethyl)piperidin-4-amine
CID 146535907
3-(aminomethyl)-N,N-dimethylthian-3-amine
CID 62871839
N'-[3-(aminomethyl)thian-3-yl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63695522
2-Methyl-5-thiomorpholin-4-ylpentan-2-amine
CID 64007515
1-[1-(3-Methylsulfanylpropyl)piperidin-3-yl]ethanamine
CID 64027796
2-Methyl-5-(3-methylthiomorpholin-4-yl)pentan-2-amine
CID 64054296
5-(2,6-Dimethylthiomorpholin-4-yl)-2-methylpentan-2-amine
CID 64118886
3-Ethyl-6-(3-methylthiomorpholin-4-yl)hexan-1-amine
CID 64344905
3-Methyl-6-(3-methylthiomorpholin-4-yl)hexan-1-amine
CID 64350003
1-(2-Thiomorpholin-4-ylethyl)cyclopentan-1-amine
CID 64678905

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl]thian-3-amine?
The IUPAC name of 3-[2-(dimethylamino)ethyl]thian-3-amine (CID 84732904) is 3-[2-(dimethylamino)ethyl]thian-3-amine.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl]thian-3-amine?
The canonical SMILES for 3-[2-(dimethylamino)ethyl]thian-3-amine is CN(C)CCC1(N)CCCSC1.
What is the InChIKey of 3-[2-(dimethylamino)ethyl]thian-3-amine?
The InChIKey is NATQMHLUOMWLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2S/c1-11(2)6-5-9(10)4-3-7-12-8-9/h3-8,10H2,1-2H3.
What are the key properties of 3-[2-(dimethylamino)ethyl]thian-3-amine?
3-[2-(dimethylamino)ethyl]thian-3-amine has a molecular weight of 188.34 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl]thian-3-amine is sourced from PubChem (CID 84732904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).