2-methyl-N-(2-methylsulfinylethyl)thiolan-3-amine

C8H17NOS2 — CID 102672329

IUPAC2-methyl-N-(2-methylsulfinylethyl)thiolan-3-amine
SMILESCC1SCCC1NCCS(C)=O
InChIInChI=1S/C8H17NOS2/c1-7-8(3-5-11-7)9-4-6-12(2)10/h7-9H,3-6H2,1-2H3
InChIKeyNVKTVCIJMYERLT-UHFFFAOYSA-N
MW207.36 g/mol
LogP0.85
Rot. Bonds4

About 2-methyl-N-(2-methylsulfinylethyl)thiolan-3-amine

2-methyl-N-(2-methylsulfinylethyl)thiolan-3-amine (PubChem CID 102672329) has the molecular formula C8H17NOS2 and a molecular weight of 207.36 g/mol. Its IUPAC name is 2-methyl-N-(2-methylsulfinylethyl)thiolan-3-amine.

Molecular Properties

Compound Name2-methyl-N-(2-methylsulfinylethyl)thiolan-3-amine
PubChem CID102672329
Molecular FormulaC8H17NOS2
Molecular Weight207.36 g/mol
Exact Mass207.08
IUPAC Name2-methyl-N-(2-methylsulfinylethyl)thiolan-3-amine
SMILESCC1SCCC1NCCS(C)=O
InChIInChI=1S/C8H17NOS2/c1-7-8(3-5-11-7)9-4-6-12(2)10/h7-9H,3-6H2,1-2H3
InChIKeyNVKTVCIJMYERLT-UHFFFAOYSA-N
XLogP0.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(azepan-1-yl)ethyl]-2-methylthiolan-3-amine
CID 102671482
2-methyl-N-[2-(2-methylpropoxy)ethyl]thiolan-3-amine
CID 102671626
2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]thiolan-3-amine
CID 102672561
N',N'-dimethyl-N-(2-methylthiolan-3-yl)butane-1,4-diamine
CID 102671776
N',N'-diethyl-N-(2-methylthiolan-3-yl)propane-1,3-diamine
CID 102672813
N'-methyl-N-(2-methylthiolan-3-yl)-N'-propan-2-ylethane-1,2-diamine
CID 102671868
2-methyl-N-(thian-2-ylmethyl)thiolan-3-amine
CID 102672978
2-methyl-N-[(2-methylcyclopropyl)methyl]thiolan-3-amine
CID 102671571
3-methyl-N-(2-methylsulfinylethyl)cyclobutan-1-amine
CID 104859809
2-methyl-N-(3-methylbut-2-enyl)thiolan-3-amine
CID 103529246
2-[(2-methylthian-3-yl)amino]ethanesulfonamide
CID 79957817
N-but-3-ynyl-2-methylthian-3-amine
CID 79957686

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylsulfinylethyl)thiolan-3-amine?
The IUPAC name of 2-methyl-N-(2-methylsulfinylethyl)thiolan-3-amine (CID 102672329) is 2-methyl-N-(2-methylsulfinylethyl)thiolan-3-amine.
What is the SMILES notation for 2-methyl-N-(2-methylsulfinylethyl)thiolan-3-amine?
The canonical SMILES for 2-methyl-N-(2-methylsulfinylethyl)thiolan-3-amine is CC1SCCC1NCCS(C)=O.
What is the InChIKey of 2-methyl-N-(2-methylsulfinylethyl)thiolan-3-amine?
The InChIKey is NVKTVCIJMYERLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS2/c1-7-8(3-5-11-7)9-4-6-12(2)10/h7-9H,3-6H2,1-2H3.
What are the key properties of 2-methyl-N-(2-methylsulfinylethyl)thiolan-3-amine?
2-methyl-N-(2-methylsulfinylethyl)thiolan-3-amine has a molecular weight of 207.36 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylsulfinylethyl)thiolan-3-amine is sourced from PubChem (CID 102672329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).