N,N-diethyl-2-methyl-1,1-dioxo-2H-thiet-3-amine

C8H15NO2S — CID 12845636

IUPACN,N-diethyl-2-methyl-1,1-dioxo-2H-thiet-3-amine
SMILESCCN(CC)C1=CS(=O)(=O)C1C
InChIInChI=1S/C8H15NO2S/c1-4-9(5-2)8-6-12(10,11)7(8)3/h6-7H,4-5H2,1-3H3
InChIKeyZEATZAIJYHLTJN-UHFFFAOYSA-N
MW189.28 g/mol
LogP0.99
Rot. Bonds3

About N,N-diethyl-2-methyl-1,1-dioxo-2H-thiet-3-amine

N,N-diethyl-2-methyl-1,1-dioxo-2H-thiet-3-amine (PubChem CID 12845636) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is N,N-diethyl-2-methyl-1,1-dioxo-2H-thiet-3-amine.

Molecular Properties

Compound NameN,N-diethyl-2-methyl-1,1-dioxo-2H-thiet-3-amine
PubChem CID12845636
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC NameN,N-diethyl-2-methyl-1,1-dioxo-2H-thiet-3-amine
SMILESCCN(CC)C1=CS(=O)(=O)C1C
InChIInChI=1S/C8H15NO2S/c1-4-9(5-2)8-6-12(10,11)7(8)3/h6-7H,4-5H2,1-3H3
InChIKeyZEATZAIJYHLTJN-UHFFFAOYSA-N
XLogP0.99
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

n,n-Dimethyl-2h-thiet-3-amine 1,1-dioxide
CID 282202
3-(Dimethylamino)-4,5-dihydrothiophene-1,1-dione
CID 12494838
4,5-dimethyl-3,4-dihydro-2H-1,4-thiazine 1,1-dioxide
CID 24975881
N,N,2,2-tetramethyl-1,1-dioxothiet-3-amine
CID 86178819
5-Tert-butyl-4-methyl-2,3-dihydro-1,4-thiazine 1,1-dioxide
CID 134987423
1-But-1-en-2-yl-3-methylsulfonylazetidine
CID 124023199
(E)-N-methyl-N-(3-methylsulfonylpropyl)but-2-en-2-amine
CID 134287035
(E)-N-methyl-N-(3-methylsulfonylpropyl)pent-2-en-2-amine
CID 144946228
2-Methylidene-1-(propan-2-ylsulfonylmethyl)azetidine
CID 158746629
1-(3-Methylbut-1-en-2-yl)-3-methylsulfonylazetidine
CID 170117398
N-methyl-N-(2-propan-2-ylsulfonylethyl)prop-1-en-2-amine
CID 170117422
N,N-diethyl-1,1-dioxo-2H-thiet-3-amine
CID 12244238

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-methyl-1,1-dioxo-2H-thiet-3-amine?
The IUPAC name of N,N-diethyl-2-methyl-1,1-dioxo-2H-thiet-3-amine (CID 12845636) is N,N-diethyl-2-methyl-1,1-dioxo-2H-thiet-3-amine.
What is the SMILES notation for N,N-diethyl-2-methyl-1,1-dioxo-2H-thiet-3-amine?
The canonical SMILES for N,N-diethyl-2-methyl-1,1-dioxo-2H-thiet-3-amine is CCN(CC)C1=CS(=O)(=O)C1C.
What is the InChIKey of N,N-diethyl-2-methyl-1,1-dioxo-2H-thiet-3-amine?
The InChIKey is ZEATZAIJYHLTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2S/c1-4-9(5-2)8-6-12(10,11)7(8)3/h6-7H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-2-methyl-1,1-dioxo-2H-thiet-3-amine?
N,N-diethyl-2-methyl-1,1-dioxo-2H-thiet-3-amine has a molecular weight of 189.28 g/mol, XLogP of 0.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-methyl-1,1-dioxo-2H-thiet-3-amine is sourced from PubChem (CID 12845636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).