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

C9H20N2S — CID 84732903

IUPAC4-[2-(dimethylamino)ethyl]thian-4-amine
SMILESCN(C)CCC1(N)CCSCC1
InChIInChI=1S/C9H20N2S/c1-11(2)6-3-9(10)4-7-12-8-5-9/h3-8,10H2,1-2H3
InChIKeyYCVKQAOSJBJUHJ-UHFFFAOYSA-N
MW188.34 g/mol
LogP1.16
Rot. Bonds3

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

4-[2-(dimethylamino)ethyl]thian-4-amine (PubChem CID 84732903) has the molecular formula C9H20N2S and a molecular weight of 188.34 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethyl]thian-4-amine.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethyl]thian-4-amine
PubChem CID84732903
Molecular FormulaC9H20N2S
Molecular Weight188.34 g/mol
Exact Mass188.13
IUPAC Name4-[2-(dimethylamino)ethyl]thian-4-amine
SMILESCN(C)CCC1(N)CCSCC1
InChIInChI=1S/C9H20N2S/c1-11(2)6-3-9(10)4-7-12-8-5-9/h3-8,10H2,1-2H3
InChIKeyYCVKQAOSJBJUHJ-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-(aminomethyl)-N,N-dimethylthian-4-amine
CID 61563056
2-(4-Pyrrolidin-1-ylthian-4-yl)ethanamine
CID 131352232
4-(2-aminoethyl)-N-methylthian-4-amine
CID 139719644
4-Methyl-1-(1-methylsulfanylethyl)piperidin-4-amine
CID 146535907
1-(4-Amino-4-methylpiperidin-1-yl)ethanethiol
CID 153001825
4-(aminomethyl)-N,N-dibutylthian-4-amine
CID 54981839
4-(aminomethyl)-N-pentyl-N-propan-2-ylthian-4-amine
CID 55001717
4-(aminomethyl)-N-methyl-N-propylthian-4-amine
CID 61562844
4-(aminomethyl)-N,N-diethylthian-4-amine
CID 61562875
4-(aminomethyl)-N,N-dipropylthian-4-amine
CID 61563055
4-(aminomethyl)-N-butyl-N-methylthian-4-amine
CID 61563117

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethyl]thian-4-amine?
The IUPAC name of 4-[2-(dimethylamino)ethyl]thian-4-amine (CID 84732903) is 4-[2-(dimethylamino)ethyl]thian-4-amine.
What is the SMILES notation for 4-[2-(dimethylamino)ethyl]thian-4-amine?
The canonical SMILES for 4-[2-(dimethylamino)ethyl]thian-4-amine is CN(C)CCC1(N)CCSCC1.
What is the InChIKey of 4-[2-(dimethylamino)ethyl]thian-4-amine?
The InChIKey is YCVKQAOSJBJUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2S/c1-11(2)6-3-9(10)4-7-12-8-5-9/h3-8,10H2,1-2H3.
What are the key properties of 4-[2-(dimethylamino)ethyl]thian-4-amine?
4-[2-(dimethylamino)ethyl]thian-4-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 4-[2-(dimethylamino)ethyl]thian-4-amine is sourced from PubChem (CID 84732903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).