(2S,4S)-4-amino-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N,N-diethylpyrrolidine-2-carboxamide

C14H24N4O4S — CID 56755686

IUPAC(2S,4S)-4-amino-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N,N-diethylpyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@H](N)CN1S(=O)(=O)c1c(C)noc1C
InChIInChI=1S/C14H24N4O4S/c1-5-17(6-2)14(19)12-7-11(15)8-18(12)23(20,21)13-9(3)16-22-10(13)4/h11-12H,5-8,15H2,1-4H3/t11-,12-/m0/s1
InChIKeyZUKPFBFUAHIGNF-RYUDHWBXSA-N
MW344.44 g/mol
LogP0.25
Rot. Bonds5

About (2S,4S)-4-amino-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N,N-diethylpyrrolidine-2-carboxamide

(2S,4S)-4-amino-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N,N-diethylpyrrolidine-2-carboxamide (PubChem CID 56755686) has the molecular formula C14H24N4O4S and a molecular weight of 344.44 g/mol. Its IUPAC name is (2S,4S)-4-amino-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N,N-diethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-amino-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N,N-diethylpyrrolidine-2-carboxamide
PubChem CID56755686
Molecular FormulaC14H24N4O4S
Molecular Weight344.44 g/mol
Exact Mass344.15
IUPAC Name(2S,4S)-4-amino-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N,N-diethylpyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@H](N)CN1S(=O)(=O)c1c(C)noc1C
InChIInChI=1S/C14H24N4O4S/c1-5-17(6-2)14(19)12-7-11(15)8-18(12)23(20,21)13-9(3)16-22-10(13)4/h11-12H,5-8,15H2,1-4H3/t11-,12-/m0/s1
InChIKeyZUKPFBFUAHIGNF-RYUDHWBXSA-N
XLogP0.25
TPSA109.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidin-3-amine
CID 65245066
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-5-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120582142
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-6-methylpiperidine-3-carboxamide
CID 47319650
(2S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrrolidine-2-carboxylic acid
CID 7130999
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-phenoxypyrrolidine-2-carboxamide
CID 171142177
3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,3-thiazolidine-4-carboxylic acid
CID 43210339
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidine-3-carboxylic acid
CID 62707263
ethyl 4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-4-oxobutanoate
CID 9151213
methyl (2S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrrolidine-2-carboxylate
CID 93038597
ethyl 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-oxoacetate
CID 110328637
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]methanol
CID 39373161
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-methylpyrrolidin-2-yl]methanol
CID 102786141

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-amino-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N,N-diethylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-4-amino-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N,N-diethylpyrrolidine-2-carboxamide (CID 56755686) is (2S,4S)-4-amino-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N,N-diethylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-4-amino-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N,N-diethylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-4-amino-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N,N-diethylpyrrolidine-2-carboxamide is CCN(CC)C(=O)[C@@H]1C[C@H](N)CN1S(=O)(=O)c1c(C)noc1C.
What is the InChIKey of (2S,4S)-4-amino-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N,N-diethylpyrrolidine-2-carboxamide?
The InChIKey is ZUKPFBFUAHIGNF-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H24N4O4S/c1-5-17(6-2)14(19)12-7-11(15)8-18(12)23(20,21)13-9(3)16-22-10(13)4/h11-12H,5-8,15H2,1-4H3/t11-,12-/m0/s1.
What are the key properties of (2S,4S)-4-amino-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N,N-diethylpyrrolidine-2-carboxamide?
(2S,4S)-4-amino-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N,N-diethylpyrrolidine-2-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 0.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-amino-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N,N-diethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 56755686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).