(3S)-N-methyl-1,1-dioxo-N-(1,3-thiazol-2-ylmethyl)thiolan-3-amine

C9H14N2O2S2 — CID 99939311

IUPAC(3S)-N-methyl-1,1-dioxo-N-(1,3-thiazol-2-ylmethyl)thiolan-3-amine
SMILESCN(Cc1nccs1)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C9H14N2O2S2/c1-11(6-9-10-3-4-14-9)8-2-5-15(12,13)7-8/h3-4,8H,2,5-7H2,1H3/t8-/m0/s1
InChIKeyQDIXKPRKTGLSNI-QMMMGPOBSA-N
MW246.36 g/mol
LogP0.76
Rot. Bonds3

About (3S)-N-methyl-1,1-dioxo-N-(1,3-thiazol-2-ylmethyl)thiolan-3-amine

(3S)-N-methyl-1,1-dioxo-N-(1,3-thiazol-2-ylmethyl)thiolan-3-amine (PubChem CID 99939311) has the molecular formula C9H14N2O2S2 and a molecular weight of 246.36 g/mol. Its IUPAC name is (3S)-N-methyl-1,1-dioxo-N-(1,3-thiazol-2-ylmethyl)thiolan-3-amine.

Molecular Properties

Compound Name(3S)-N-methyl-1,1-dioxo-N-(1,3-thiazol-2-ylmethyl)thiolan-3-amine
PubChem CID99939311
Molecular FormulaC9H14N2O2S2
Molecular Weight246.36 g/mol
Exact Mass246.05
IUPAC Name(3S)-N-methyl-1,1-dioxo-N-(1,3-thiazol-2-ylmethyl)thiolan-3-amine
SMILESCN(Cc1nccs1)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C9H14N2O2S2/c1-11(6-9-10-3-4-14-9)8-2-5-15(12,13)7-8/h3-4,8H,2,5-7H2,1H3/t8-/m0/s1
InChIKeyQDIXKPRKTGLSNI-QMMMGPOBSA-N
XLogP0.76
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1,1-dioxo-N-(quinolin-6-ylmethyl)thiolan-3-amine
CID 46981762
(3S)-N-methyl-1,1-dioxo-N-(quinolin-8-ylmethyl)thiolan-3-amine
CID 51598744
(3S)-N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 94394020
1-benzyl-3-(1,1-dioxothiolan-3-yl)-1-(1,3-thiazol-2-ylmethyl)urea
CID 119059665
N-methyl-N-[[2-(4-methylphenyl)-1,3-thiazol-5-yl]methyl]-1,1-dioxothiolan-3-amine
CID 84593085
5-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-N-ethylpyrimidin-2-amine
CID 77085463
N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,1-dioxothiolan-3-amine
CID 43817865
2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-N-methyl-N-(pyrazin-2-ylmethyl)acetamide
CID 125156790
N-methyl-1,1-dioxo-N-(quinolin-2-ylmethyl)thiolan-3-amine
CID 75682393
(3S)-N-methyl-1,1-dioxo-N-(quinolin-2-ylmethyl)thiolan-3-amine
CID 51598738
N-[(3S)-1,1-dioxothiolan-3-yl]-N,3-dimethylthiophene-2-carboxamide
CID 6599870
4-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]benzonitrile
CID 43410411

Frequently Asked Questions

What is the IUPAC name of (3S)-N-methyl-1,1-dioxo-N-(1,3-thiazol-2-ylmethyl)thiolan-3-amine?
The IUPAC name of (3S)-N-methyl-1,1-dioxo-N-(1,3-thiazol-2-ylmethyl)thiolan-3-amine (CID 99939311) is (3S)-N-methyl-1,1-dioxo-N-(1,3-thiazol-2-ylmethyl)thiolan-3-amine.
What is the SMILES notation for (3S)-N-methyl-1,1-dioxo-N-(1,3-thiazol-2-ylmethyl)thiolan-3-amine?
The canonical SMILES for (3S)-N-methyl-1,1-dioxo-N-(1,3-thiazol-2-ylmethyl)thiolan-3-amine is CN(Cc1nccs1)[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of (3S)-N-methyl-1,1-dioxo-N-(1,3-thiazol-2-ylmethyl)thiolan-3-amine?
The InChIKey is QDIXKPRKTGLSNI-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H14N2O2S2/c1-11(6-9-10-3-4-14-9)8-2-5-15(12,13)7-8/h3-4,8H,2,5-7H2,1H3/t8-/m0/s1.
What are the key properties of (3S)-N-methyl-1,1-dioxo-N-(1,3-thiazol-2-ylmethyl)thiolan-3-amine?
(3S)-N-methyl-1,1-dioxo-N-(1,3-thiazol-2-ylmethyl)thiolan-3-amine has a molecular weight of 246.36 g/mol, XLogP of 0.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-methyl-1,1-dioxo-N-(1,3-thiazol-2-ylmethyl)thiolan-3-amine is sourced from PubChem (CID 99939311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).