1-(1,1-dioxothian-4-yl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine

C12H20N2O3S — CID 127669354

IUPAC1-(1,1-dioxothian-4-yl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine
SMILESCc1cc(CN(C)CC2CCS(=O)(=O)CC2)no1
InChIInChI=1S/C12H20N2O3S/c1-10-7-12(13-17-10)9-14(2)8-11-3-5-18(15,16)6-4-11/h7,11H,3-6,8-9H2,1-2H3
InChIKeyJWYVQFMYQXXVMJ-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.24
Rot. Bonds4

About 1-(1,1-dioxothian-4-yl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine

1-(1,1-dioxothian-4-yl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine (PubChem CID 127669354) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is 1-(1,1-dioxothian-4-yl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1,1-dioxothian-4-yl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine
PubChem CID127669354
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name1-(1,1-dioxothian-4-yl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine
SMILESCc1cc(CN(C)CC2CCS(=O)(=O)CC2)no1
InChIInChI=1S/C12H20N2O3S/c1-10-7-12(13-17-10)9-14(2)8-11-3-5-18(15,16)6-4-11/h7,11H,3-6,8-9H2,1-2H3
InChIKeyJWYVQFMYQXXVMJ-UHFFFAOYSA-N
XLogP1.24
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(1,1-dioxothian-4-yl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine with MolForge

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Related Compounds

3-(1,1-dioxothiolan-3-yl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 47237198
1-[1-(1,1-dioxothiolan-3-yl)-2,5-dimethylpyrrol-3-yl]-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]ethanone
CID 86983921
N-methyl-1-[4-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]phenyl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine
CID 36967982
(2R,5S)-5-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]carbamoyl]oxolane-2-carboxylic acid
CID 102944535
1-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 94199776
3-cyclopentyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide
CID 51077919
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanesulfonamide
CID 61356856
N-[3-(1,1-dioxothiolan-3-yl)propyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110610688
2-methyl-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propanoic acid
CID 62821268
[4-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]phenyl]methanol
CID 110008128
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110413204
2-(cyclopropylmethoxy)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide
CID 86991307

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothian-4-yl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine?
The IUPAC name of 1-(1,1-dioxothian-4-yl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine (CID 127669354) is 1-(1,1-dioxothian-4-yl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(1,1-dioxothian-4-yl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine?
The canonical SMILES for 1-(1,1-dioxothian-4-yl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine is Cc1cc(CN(C)CC2CCS(=O)(=O)CC2)no1.
What is the InChIKey of 1-(1,1-dioxothian-4-yl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine?
The InChIKey is JWYVQFMYQXXVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-10-7-12(13-17-10)9-14(2)8-11-3-5-18(15,16)6-4-11/h7,11H,3-6,8-9H2,1-2H3.
What are the key properties of 1-(1,1-dioxothian-4-yl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine?
1-(1,1-dioxothian-4-yl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine has a molecular weight of 272.37 g/mol, XLogP of 1.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothian-4-yl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine is sourced from PubChem (CID 127669354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).