4-[[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole

C15H28N4O3S — CID 72936150

IUPAC4-[[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1CN1C[C@@H](NS(=O)(=O)N(C)C)[C@H](C(C)C)C1
InChIInChI=1S/C15H28N4O3S/c1-10(2)13-7-19(8-14-11(3)16-22-12(14)4)9-15(13)17-23(20,21)18(5)6/h10,13,15,17H,7-9H2,1-6H3/t13-,15+/m0/s1
InChIKeyHZBYXDGAFXCLIP-DZGCQCFKSA-N
MW344.48 g/mol
LogP1.14
Rot. Bonds6

About 4-[[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole

4-[[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole (PubChem CID 72936150) has the molecular formula C15H28N4O3S and a molecular weight of 344.48 g/mol. Its IUPAC name is 4-[[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
PubChem CID72936150
Molecular FormulaC15H28N4O3S
Molecular Weight344.48 g/mol
Exact Mass344.19
IUPAC Name4-[[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1CN1C[C@@H](NS(=O)(=O)N(C)C)[C@H](C(C)C)C1
InChIInChI=1S/C15H28N4O3S/c1-10(2)13-7-19(8-14-11(3)16-22-12(14)4)9-15(13)17-23(20,21)18(5)6/h10,13,15,17H,7-9H2,1-6H3/t13-,15+/m0/s1
InChIKeyHZBYXDGAFXCLIP-DZGCQCFKSA-N
XLogP1.14
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S,4S)-1-[(dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methanamine
CID 119030852
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-sulfamoylpyrrolidine-2-carboxamide
CID 53511969
(3R*,4S*)-1-[(3,5-dimethylisoxazol-4-yl)sulfonyl]-4-propylpyrrolidin-3-amine
CID 72839592
N-{rel-(3R,4S)-1-[(3,5-dimethyl-4-isoxazolyl)methyl]-4-isopropyl-3-pyrrolidinyl}-2-(methylthio)acetamide hydrochloride
CID 72864519
N'-{(3S*,4R*)-1-[(3,5-dimethyl-4-isoxazolyl)methyl]-4-isopropyl-3-pyrrolidinyl}-N,N-dimethylurea
CID 72875507
4-(((3AR,6aS)-hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)methyl)-3,5-dimethylisoxazole
CID 97053909
1-[(Dimethyl-1,2-oxazol-4-yl)methyl]piperazine
CID 2772401
1-((3,5-Dimethylisoxazol-4-yl)methyl)piperidin-3-amine
CID 56828949
N-{rel-(3R,4S)-1-[(3,5-dimethyl-4-isoxazolyl)methyl]-4-isopropyl-3-pyrrolidinyl}-1-butanesulfonamide hydrochloride
CID 72838871
N~2~-(aminocarbonyl)-N~1~-{(3R*,4S*)-1-[(3,5-dimethyl-4-isoxazolyl)methyl]-4-propyl-3-pyrrolidinyl}-N~2~-methylglycinamide
CID 72899792
N-{4-[(Dimethylamino)methyl]-1-methanesulfonylpyrrolidin-3-YL}-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 91911021
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(methylsulfonyl)tetrahydro-1H-pyrrol-3-yl]-2-(3,5-dimethyl-4-isoxazolyl)acetamide
CID 91911098

Frequently Asked Questions

What is the IUPAC name of 4-[[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole (CID 72936150) is 4-[[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1CN1C[C@@H](NS(=O)(=O)N(C)C)[C@H](C(C)C)C1.
What is the InChIKey of 4-[[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is HZBYXDGAFXCLIP-DZGCQCFKSA-N. The full InChI is InChI=1S/C15H28N4O3S/c1-10(2)13-7-19(8-14-11(3)16-22-12(14)4)9-15(13)17-23(20,21)18(5)6/h10,13,15,17H,7-9H2,1-6H3/t13-,15+/m0/s1.
What are the key properties of 4-[[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole?
4-[[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 344.48 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 72936150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).