2-(2-methyl-1,1-dioxothian-2-yl)ethanamine

C8H17NO2S — CID 115018801

IUPAC2-(2-methyl-1,1-dioxothian-2-yl)ethanamine
SMILESCC1(CCN)CCCCS1(=O)=O
InChIInChI=1S/C8H17NO2S/c1-8(5-6-9)4-2-3-7-12(8,10)11/h2-7,9H2,1H3
InChIKeyNIZAWJVJNATAPL-UHFFFAOYSA-N
MW191.30 g/mol
LogP0.69
Rot. Bonds2

About 2-(2-methyl-1,1-dioxothian-2-yl)ethanamine

2-(2-methyl-1,1-dioxothian-2-yl)ethanamine (PubChem CID 115018801) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is 2-(2-methyl-1,1-dioxothian-2-yl)ethanamine.

Molecular Properties

Compound Name2-(2-methyl-1,1-dioxothian-2-yl)ethanamine
PubChem CID115018801
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name2-(2-methyl-1,1-dioxothian-2-yl)ethanamine
SMILESCC1(CCN)CCCCS1(=O)=O
InChIInChI=1S/C8H17NO2S/c1-8(5-6-9)4-2-3-7-12(8,10)11/h2-7,9H2,1H3
InChIKeyNIZAWJVJNATAPL-UHFFFAOYSA-N
XLogP0.69
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopentylidenemethoxymethyl)-2-methylthiocane 1,1-dioxide
CID 176604994
2-(1-methylcyclobutyl)ethanamine;hydrochloride
CID 55284653
(1,1-dioxo-2-propan-2-ylthiolan-2-yl)methanamine
CID 84772128
1λ6,11λ6-dithiaspiro[3.7]undecane 1,1,11,11-tetraoxide
CID 118914060
2-(1-methoxycycloheptyl)ethanamine
CID 83905895
2-[1-(4-methylpiperazin-1-yl)cyclohexyl]ethanamine
CID 10846836
2-amino-1,1-dioxothiolan-2-ol
CID 160841811
formaldehyde;2-(4-methylpiperidin-4-yl)ethanamine
CID 143596022
2-[1-(2,2-dimethylpropyl)cyclohexyl]ethanamine
CID 83818947
2-[1-(1-methylpiperidin-4-yl)cyclopentyl]ethanamine
CID 83820856
1-(2-aminoethyl)-N-ethylcyclopentane-1-carboxamide
CID 166106109
2-[3-(difluoromethyl)-1,1-dioxothiolan-3-yl]ethanamine
CID 115028275

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,1-dioxothian-2-yl)ethanamine?
The IUPAC name of 2-(2-methyl-1,1-dioxothian-2-yl)ethanamine (CID 115018801) is 2-(2-methyl-1,1-dioxothian-2-yl)ethanamine.
What is the SMILES notation for 2-(2-methyl-1,1-dioxothian-2-yl)ethanamine?
The canonical SMILES for 2-(2-methyl-1,1-dioxothian-2-yl)ethanamine is CC1(CCN)CCCCS1(=O)=O.
What is the InChIKey of 2-(2-methyl-1,1-dioxothian-2-yl)ethanamine?
The InChIKey is NIZAWJVJNATAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-8(5-6-9)4-2-3-7-12(8,10)11/h2-7,9H2,1H3.
What are the key properties of 2-(2-methyl-1,1-dioxothian-2-yl)ethanamine?
2-(2-methyl-1,1-dioxothian-2-yl)ethanamine has a molecular weight of 191.30 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,1-dioxothian-2-yl)ethanamine is sourced from PubChem (CID 115018801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).