(3S)-N-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]-N-ethyl-1,1-dioxothiolan-3-amine

C14H24N2O3S — CID 164634233

IUPAC(3S)-N-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]-N-ethyl-1,1-dioxothiolan-3-amine
SMILESCCN(Cc1nc(C(C)(C)C)co1)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C14H24N2O3S/c1-5-16(11-6-7-20(17,18)10-11)8-13-15-12(9-19-13)14(2,3)4/h9,11H,5-8,10H2,1-4H3/t11-/m0/s1
InChIKeyMZWRDMROQQDOTM-NSHDSACASA-N
MW300.42 g/mol
LogP1.98
Rot. Bonds4

About (3S)-N-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]-N-ethyl-1,1-dioxothiolan-3-amine

(3S)-N-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]-N-ethyl-1,1-dioxothiolan-3-amine (PubChem CID 164634233) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is (3S)-N-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]-N-ethyl-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound Name(3S)-N-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]-N-ethyl-1,1-dioxothiolan-3-amine
PubChem CID164634233
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Name(3S)-N-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]-N-ethyl-1,1-dioxothiolan-3-amine
SMILESCCN(Cc1nc(C(C)(C)C)co1)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C14H24N2O3S/c1-5-16(11-6-7-20(17,18)10-11)8-13-15-12(9-19-13)14(2,3)4/h9,11H,5-8,10H2,1-4H3/t11-/m0/s1
InChIKeyMZWRDMROQQDOTM-NSHDSACASA-N
XLogP1.98
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3S)-N-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]-N-ethyl-1,1-dioxothiolan-3-amine with MolForge

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Related Compounds

N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,1-dioxothiolan-3-amine
CID 91843217
(3S)-N-[(4-aminophenyl)methyl]-N-ethyl-1,1-dioxothiolan-3-amine
CID 93463712
N-ethyl-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,1-dioxothiolan-3-amine
CID 110651991
N-ethyl-1,1-dioxo-N-[(1,4,5-trimethylimidazol-2-yl)methyl]thiolan-3-amine
CID 131909781
(3R)-N-[(2-chlorophenyl)methyl]-N-ethyl-1,1-dioxothiolan-3-amine
CID 129370050
2-[(1,1-dioxothiolan-3-yl)-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetic acid
CID 60840065
N-ethyl-N-[[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]methyl]-1,1-dioxothiolan-3-amine
CID 131929446
N-butyl-N-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,1-dioxothiolan-3-amine
CID 126780658
1-N-(1,1-dioxothiolan-3-yl)-1-N-[(4-methoxyphenyl)methyl]-2-methylpropane-1,2-diamine
CID 120847480
(3S)-N-ethyl-1,1-dioxo-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]thiolan-3-amine
CID 124752821
(3R)-N-ethyl-1,1-dioxo-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]thiolan-3-amine
CID 124752820
2-[(1,1-dioxothiolan-3-yl)-ethylamino]acetamide
CID 82040848

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]-N-ethyl-1,1-dioxothiolan-3-amine?
The IUPAC name of (3S)-N-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]-N-ethyl-1,1-dioxothiolan-3-amine (CID 164634233) is (3S)-N-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]-N-ethyl-1,1-dioxothiolan-3-amine.
What is the SMILES notation for (3S)-N-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]-N-ethyl-1,1-dioxothiolan-3-amine?
The canonical SMILES for (3S)-N-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]-N-ethyl-1,1-dioxothiolan-3-amine is CCN(Cc1nc(C(C)(C)C)co1)[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of (3S)-N-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]-N-ethyl-1,1-dioxothiolan-3-amine?
The InChIKey is MZWRDMROQQDOTM-NSHDSACASA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-5-16(11-6-7-20(17,18)10-11)8-13-15-12(9-19-13)14(2,3)4/h9,11H,5-8,10H2,1-4H3/t11-/m0/s1.
What are the key properties of (3S)-N-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]-N-ethyl-1,1-dioxothiolan-3-amine?
(3S)-N-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]-N-ethyl-1,1-dioxothiolan-3-amine has a molecular weight of 300.42 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]-N-ethyl-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 164634233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).