(2S)-2-[(5-cyclopropyl-1,3-oxazol-2-yl)methyl-methylamino]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylpropanamide

C16H25N3O4S — CID 97061610

IUPAC(2S)-2-[(5-cyclopropyl-1,3-oxazol-2-yl)methyl-methylamino]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylpropanamide
SMILESC[C@@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N(C)Cc1ncc(C2CC2)o1
InChIInChI=1S/C16H25N3O4S/c1-11(16(20)19(3)13-6-7-24(21,22)10-13)18(2)9-15-17-8-14(23-15)12-4-5-12/h8,11-13H,4-7,9-10H2,1-3H3/t11-,13-/m0/s1
InChIKeyMQWYIPHHYLNZJS-AAEUAGOBSA-N
MW355.46 g/mol
LogP1.02
Rot. Bonds6

About (2S)-2-[(5-cyclopropyl-1,3-oxazol-2-yl)methyl-methylamino]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylpropanamide

(2S)-2-[(5-cyclopropyl-1,3-oxazol-2-yl)methyl-methylamino]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylpropanamide (PubChem CID 97061610) has the molecular formula C16H25N3O4S and a molecular weight of 355.46 g/mol. Its IUPAC name is (2S)-2-[(5-cyclopropyl-1,3-oxazol-2-yl)methyl-methylamino]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylpropanamide.

Molecular Properties

Compound Name(2S)-2-[(5-cyclopropyl-1,3-oxazol-2-yl)methyl-methylamino]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylpropanamide
PubChem CID97061610
Molecular FormulaC16H25N3O4S
Molecular Weight355.46 g/mol
Exact Mass355.16
IUPAC Name(2S)-2-[(5-cyclopropyl-1,3-oxazol-2-yl)methyl-methylamino]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylpropanamide
SMILESC[C@@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N(C)Cc1ncc(C2CC2)o1
InChIInChI=1S/C16H25N3O4S/c1-11(16(20)19(3)13-6-7-24(21,22)10-13)18(2)9-15-17-8-14(23-15)12-4-5-12/h8,11-13H,4-7,9-10H2,1-3H3/t11-,13-/m0/s1
InChIKeyMQWYIPHHYLNZJS-AAEUAGOBSA-N
XLogP1.02
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2S)-2-[(5-cyclopropyl-1,3-oxazol-2-yl)methyl-methylamino]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylpropanamide with MolForge

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Related Compounds

2-[2-cyanoethyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide
CID 78822715
(2R)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide
CID 78971907
(3R)-N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 51981068
2-[5-(1,1-dioxothian-4-yl)-1,3-oxazol-2-yl]ethanol
CID 115045575
3-cyano-N-(1,1-dioxothiolan-3-yl)-N,2-dimethylpropanamide
CID 82118099
2-amino-N-(1,1-dioxothiolan-3-yl)-N,3-dimethylpentanamide
CID 43648743
(3R)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 36722761
N-[(3R)-1,1-dioxothiolan-3-yl]-N-methylcarbamothioate
CID 7059128
N-(1,1-dioxothiolan-3-yl)-N,3-dimethylbutanamide
CID 3450541
N-[(3R)-1,1-dioxothiolan-3-yl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
CID 51929356
1,3-bis(1,1-dioxothiolan-3-yl)-1,3-dimethylurea
CID 108989373
(2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-(1-methylimidazol-2-yl)sulfanylpropanamide
CID 37292231

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-cyclopropyl-1,3-oxazol-2-yl)methyl-methylamino]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylpropanamide?
The IUPAC name of (2S)-2-[(5-cyclopropyl-1,3-oxazol-2-yl)methyl-methylamino]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylpropanamide (CID 97061610) is (2S)-2-[(5-cyclopropyl-1,3-oxazol-2-yl)methyl-methylamino]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylpropanamide.
What is the SMILES notation for (2S)-2-[(5-cyclopropyl-1,3-oxazol-2-yl)methyl-methylamino]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylpropanamide?
The canonical SMILES for (2S)-2-[(5-cyclopropyl-1,3-oxazol-2-yl)methyl-methylamino]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylpropanamide is C[C@@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N(C)Cc1ncc(C2CC2)o1.
What is the InChIKey of (2S)-2-[(5-cyclopropyl-1,3-oxazol-2-yl)methyl-methylamino]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylpropanamide?
The InChIKey is MQWYIPHHYLNZJS-AAEUAGOBSA-N. The full InChI is InChI=1S/C16H25N3O4S/c1-11(16(20)19(3)13-6-7-24(21,22)10-13)18(2)9-15-17-8-14(23-15)12-4-5-12/h8,11-13H,4-7,9-10H2,1-3H3/t11-,13-/m0/s1.
What are the key properties of (2S)-2-[(5-cyclopropyl-1,3-oxazol-2-yl)methyl-methylamino]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylpropanamide?
(2S)-2-[(5-cyclopropyl-1,3-oxazol-2-yl)methyl-methylamino]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylpropanamide has a molecular weight of 355.46 g/mol, XLogP of 1.02, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5-cyclopropyl-1,3-oxazol-2-yl)methyl-methylamino]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylpropanamide is sourced from PubChem (CID 97061610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).