1-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine

C11H18N2O2S2 — CID 164636953

IUPAC1-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
SMILESCc1csc(CN(C)C[C@H]2CCS(=O)(=O)C2)n1
InChIInChI=1S/C11H18N2O2S2/c1-9-7-16-11(12-9)6-13(2)5-10-3-4-17(14,15)8-10/h7,10H,3-6,8H2,1-2H3/t10-/m1/s1
InChIKeyRXBKMVUJQOQTSM-SNVBAGLBSA-N
MW274.41 g/mol
LogP1.32
Rot. Bonds4

About 1-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine

1-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine (PubChem CID 164636953) has the molecular formula C11H18N2O2S2 and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
PubChem CID164636953
Molecular FormulaC11H18N2O2S2
Molecular Weight274.41 g/mol
Exact Mass274.08
IUPAC Name1-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
SMILESCc1csc(CN(C)C[C@H]2CCS(=O)(=O)C2)n1
InChIInChI=1S/C11H18N2O2S2/c1-9-7-16-11(12-9)6-13(2)5-10-3-4-17(14,15)8-10/h7,10H,3-6,8H2,1-2H3/t10-/m1/s1
InChIKeyRXBKMVUJQOQTSM-SNVBAGLBSA-N
XLogP1.32
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine with MolForge

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Related Compounds

N-(3-methylsulfonylpropyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 71986796
N-methyl-3-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]propane-1-sulfonamide
CID 71986802
2-(Methylsulfonylmethyl)-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 71988649
N-[2-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]ethyl]ethanesulfonamide
CID 72114790
N-(2-methylsulfonylethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-2-amine
CID 84590547
4-[(2-Propyl-1,3-thiazol-4-yl)methyl]-1,4-thiazinane 1,1-dioxide
CID 71879328
N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)methanamine
CID 71980322
N-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanesulfonamide
CID 71996871
N-methyl-3-methylsulfonyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 75369458
N-[[(3S)-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-yl]methyl]methanesulfonamide
CID 95218893
(3S)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 95592435
4-methyl-2-[[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]methyl]-1,3-thiazole
CID 126792573

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine?
The IUPAC name of 1-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine (CID 164636953) is 1-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine is Cc1csc(CN(C)C[C@H]2CCS(=O)(=O)C2)n1.
What is the InChIKey of 1-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine?
The InChIKey is RXBKMVUJQOQTSM-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H18N2O2S2/c1-9-7-16-11(12-9)6-13(2)5-10-3-4-17(14,15)8-10/h7,10H,3-6,8H2,1-2H3/t10-/m1/s1.
What are the key properties of 1-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine?
1-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine has a molecular weight of 274.41 g/mol, XLogP of 1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine is sourced from PubChem (CID 164636953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).