N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methyl-1,1-dioxothiolan-3-amine

C11H18N2O3S — CID 43424917

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methyl-1,1-dioxothiolan-3-amine
SMILESCc1noc(C)c1CNC1(C)CCS(=O)(=O)C1
InChIInChI=1S/C11H18N2O3S/c1-8-10(9(2)16-13-8)6-12-11(3)4-5-17(14,15)7-11/h12H,4-7H2,1-3H3
InChIKeyIVQNWRLFXJGINT-UHFFFAOYSA-N
MW258.34 g/mol
LogP0.96
Rot. Bonds3

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methyl-1,1-dioxothiolan-3-amine

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methyl-1,1-dioxothiolan-3-amine (PubChem CID 43424917) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methyl-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methyl-1,1-dioxothiolan-3-amine
PubChem CID43424917
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methyl-1,1-dioxothiolan-3-amine
SMILESCc1noc(C)c1CNC1(C)CCS(=O)(=O)C1
InChIInChI=1S/C11H18N2O3S/c1-8-10(9(2)16-13-8)6-12-11(3)4-5-17(14,15)7-11/h12H,4-7H2,1-3H3
InChIKeyIVQNWRLFXJGINT-UHFFFAOYSA-N
XLogP0.96
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(3R)-1,1-dioxothiolan-3-yl]methanamine
CID 93420640
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(3S)-1,1-dioxothiolan-3-yl]urea
CID 95144868
1-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 78912372
1-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]cyclobutane-1-carboxamide
CID 81168317
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-methyl-1,1-dioxothiolan-3-amine
CID 43679927
N-[(2-chlorophenyl)methyl]-3-methyl-1,1-dioxothiolan-3-amine
CID 43424910
(3R)-N-[(3-fluorophenyl)methyl]-3-methyl-1,1-dioxothiolan-3-amine
CID 129364703
1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]cyclopentan-1-amine
CID 71934601
3-methyl-1,1-dioxo-N-(quinoxalin-2-ylmethyl)thiolan-3-amine
CID 43780137
2,6-dimethoxy-4-[[(3-methyl-1,1-dioxothiolan-3-yl)amino]methyl]phenol
CID 43679702
N-[[4-(diethylamino)phenyl]methyl]-3-methyl-1,1-dioxothiolan-3-amine
CID 43679696
1-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115434434

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methyl-1,1-dioxothiolan-3-amine?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methyl-1,1-dioxothiolan-3-amine (CID 43424917) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methyl-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methyl-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methyl-1,1-dioxothiolan-3-amine is Cc1noc(C)c1CNC1(C)CCS(=O)(=O)C1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methyl-1,1-dioxothiolan-3-amine?
The InChIKey is IVQNWRLFXJGINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-8-10(9(2)16-13-8)6-12-11(3)4-5-17(14,15)7-11/h12H,4-7H2,1-3H3.
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methyl-1,1-dioxothiolan-3-amine?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methyl-1,1-dioxothiolan-3-amine has a molecular weight of 258.34 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methyl-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 43424917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).