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

C8H18N2S — CID 84732055

IUPAC3-[2-(dimethylamino)ethyl]thiolan-3-amine
SMILESCN(C)CCC1(N)CCSC1
InChIInChI=1S/C8H18N2S/c1-10(2)5-3-8(9)4-6-11-7-8/h3-7,9H2,1-2H3
InChIKeyLLHFXFCDKFWYKB-UHFFFAOYSA-N
MW174.31 g/mol
LogP0.77
Rot. Bonds3

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

3-[2-(dimethylamino)ethyl]thiolan-3-amine (PubChem CID 84732055) has the molecular formula C8H18N2S and a molecular weight of 174.31 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl]thiolan-3-amine.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl]thiolan-3-amine
PubChem CID84732055
Molecular FormulaC8H18N2S
Molecular Weight174.31 g/mol
Exact Mass174.12
IUPAC Name3-[2-(dimethylamino)ethyl]thiolan-3-amine
SMILESCN(C)CCC1(N)CCSC1
InChIInChI=1S/C8H18N2S/c1-10(2)5-3-8(9)4-6-11-7-8/h3-7,9H2,1-2H3
InChIKeyLLHFXFCDKFWYKB-UHFFFAOYSA-N
XLogP0.77
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.31
LogP ≤ 50.77
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
2-(4-Pyrrolidin-1-ylthian-4-yl)ethanamine
CID 131352232
4-(2-aminoethyl)-N-methylthian-4-amine
CID 139719644
3-(aminomethyl)-N-methyl-N-pentylthiolan-3-amine
CID 43294678
3-N-methyl-3-N-(thiolan-3-yl)pentane-1,3-diamine
CID 43530808
N-tert-butyl-N'-methyl-N'-(thiolan-3-yl)pentane-1,5-diamine
CID 55074837
1-N,2-dimethyl-1-N-(thiolan-3-yl)pentane-1,2-diamine
CID 60852792
1-N-tert-butyl-4-N-methyl-4-N-(thiolan-3-yl)pentane-1,4-diamine
CID 62422982
1-N,4-dimethyl-1-N-(thiolan-3-yl)pentane-1,4-diamine
CID 64007317
N-[2-(1-aminocyclopentyl)ethyl]-N-methylthiolan-3-amine
CID 64679296
1-N,3-dimethyl-1-N-(thiolan-3-yl)butane-1,3-diamine
CID 64679297
N'-methyl-2-propyl-N'-(thiolan-3-yl)propane-1,3-diamine
CID 65227989

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl]thiolan-3-amine?
The IUPAC name of 3-[2-(dimethylamino)ethyl]thiolan-3-amine (CID 84732055) is 3-[2-(dimethylamino)ethyl]thiolan-3-amine.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl]thiolan-3-amine?
The canonical SMILES for 3-[2-(dimethylamino)ethyl]thiolan-3-amine is CN(C)CCC1(N)CCSC1.
What is the InChIKey of 3-[2-(dimethylamino)ethyl]thiolan-3-amine?
The InChIKey is LLHFXFCDKFWYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2S/c1-10(2)5-3-8(9)4-6-11-7-8/h3-7,9H2,1-2H3.
What are the key properties of 3-[2-(dimethylamino)ethyl]thiolan-3-amine?
3-[2-(dimethylamino)ethyl]thiolan-3-amine has a molecular weight of 174.31 g/mol, XLogP of 0.77, 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]thiolan-3-amine is sourced from PubChem (CID 84732055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).