3-methyl-1,1-dioxo-N-(2-thiomorpholin-3-ylethyl)thiolan-3-amine

C11H22N2O2S2 — CID 66422965

IUPAC3-methyl-1,1-dioxo-N-(2-thiomorpholin-3-ylethyl)thiolan-3-amine
SMILESCC1(NCCC2CSCCN2)CCS(=O)(=O)C1
InChIInChI=1S/C11H22N2O2S2/c1-11(3-7-17(14,15)9-11)13-4-2-10-8-16-6-5-12-10/h10,12-13H,2-9H2,1H3
InChIKeyARQSWNRBSKYYJA-UHFFFAOYSA-N
MW278.44 g/mol
LogP0.25
Rot. Bonds4

About 3-methyl-1,1-dioxo-N-(2-thiomorpholin-3-ylethyl)thiolan-3-amine

3-methyl-1,1-dioxo-N-(2-thiomorpholin-3-ylethyl)thiolan-3-amine (PubChem CID 66422965) has the molecular formula C11H22N2O2S2 and a molecular weight of 278.44 g/mol. Its IUPAC name is 3-methyl-1,1-dioxo-N-(2-thiomorpholin-3-ylethyl)thiolan-3-amine.

Molecular Properties

Compound Name3-methyl-1,1-dioxo-N-(2-thiomorpholin-3-ylethyl)thiolan-3-amine
PubChem CID66422965
Molecular FormulaC11H22N2O2S2
Molecular Weight278.44 g/mol
Exact Mass278.11
IUPAC Name3-methyl-1,1-dioxo-N-(2-thiomorpholin-3-ylethyl)thiolan-3-amine
SMILESCC1(NCCC2CSCCN2)CCS(=O)(=O)C1
InChIInChI=1S/C11H22N2O2S2/c1-11(3-7-17(14,15)9-11)13-4-2-10-8-16-6-5-12-10/h10,12-13H,2-9H2,1H3
InChIKeyARQSWNRBSKYYJA-UHFFFAOYSA-N
XLogP0.25
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]ethanol
CID 7059103
3-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]propanoic acid
CID 129366944
4-[(3-methyl-1,1-dioxothiolan-3-yl)amino]butanenitrile
CID 60720124
N-(2-thiomorpholin-3-ylethyl)butan-1-amine
CID 66422325
N-(2-thiomorpholin-3-ylethyl)butan-2-amine
CID 66421926
N-(2-methoxyethyl)-2-thiomorpholin-3-ylethanamine
CID 66420350
4-[(3-methyl-1,1-dioxothiolan-3-yl)carbamoyl]thiomorpholine-3-carboxylic acid
CID 82903997
N,3-dimethyl-1,1-dioxothiolan-3-amine;hydrochloride
CID 18559021
N-(2-thiomorpholin-3-ylethyl)cyclobutanamine
CID 66420156
tert-butyl N-(2-thiomorpholin-3-ylethyl)carbamate
CID 82384209
N-hept-6-enyl-3-methyl-1,1-dioxothiolan-3-amine
CID 107006740
2-ethyl-N'-(3-methyl-1,1-dioxothiolan-3-yl)butane-1,4-diamine
CID 81079908

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,1-dioxo-N-(2-thiomorpholin-3-ylethyl)thiolan-3-amine?
The IUPAC name of 3-methyl-1,1-dioxo-N-(2-thiomorpholin-3-ylethyl)thiolan-3-amine (CID 66422965) is 3-methyl-1,1-dioxo-N-(2-thiomorpholin-3-ylethyl)thiolan-3-amine.
What is the SMILES notation for 3-methyl-1,1-dioxo-N-(2-thiomorpholin-3-ylethyl)thiolan-3-amine?
The canonical SMILES for 3-methyl-1,1-dioxo-N-(2-thiomorpholin-3-ylethyl)thiolan-3-amine is CC1(NCCC2CSCCN2)CCS(=O)(=O)C1.
What is the InChIKey of 3-methyl-1,1-dioxo-N-(2-thiomorpholin-3-ylethyl)thiolan-3-amine?
The InChIKey is ARQSWNRBSKYYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S2/c1-11(3-7-17(14,15)9-11)13-4-2-10-8-16-6-5-12-10/h10,12-13H,2-9H2,1H3.
What are the key properties of 3-methyl-1,1-dioxo-N-(2-thiomorpholin-3-ylethyl)thiolan-3-amine?
3-methyl-1,1-dioxo-N-(2-thiomorpholin-3-ylethyl)thiolan-3-amine has a molecular weight of 278.44 g/mol, XLogP of 0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,1-dioxo-N-(2-thiomorpholin-3-ylethyl)thiolan-3-amine is sourced from PubChem (CID 66422965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).