N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C15H21N3O4S — CID 93159863

IUPACN-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NC[C@@H](c1ccco1)N1CCCC1
InChIInChI=1S/C15H21N3O4S/c1-11-15(12(2)22-17-11)23(19,20)16-10-13(14-6-5-9-21-14)18-7-3-4-8-18/h5-6,9,13,16H,3-4,7-8,10H2,1-2H3/t13-/m0/s1
InChIKeyYDBMOKRLORZQOW-ZDUSSCGKSA-N
MW339.42 g/mol
LogP2.00
Rot. Bonds6

About N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 93159863) has the molecular formula C15H21N3O4S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID93159863
Molecular FormulaC15H21N3O4S
Molecular Weight339.42 g/mol
Exact Mass339.13
IUPAC NameN-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NC[C@@H](c1ccco1)N1CCCC1
InChIInChI=1S/C15H21N3O4S/c1-11-15(12(2)22-17-11)23(19,20)16-10-13(14-6-5-9-21-14)18-7-3-4-8-18/h5-6,9,13,16H,3-4,7-8,10H2,1-2H3/t13-/m0/s1
InChIKeyYDBMOKRLORZQOW-ZDUSSCGKSA-N
XLogP2.00
TPSA88.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide with MolForge

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Related Compounds

N-(2-furylmethyl)-1-({5-[(E)-2-(2-furyl)vinyl]-3-methylisoxazol-4-yl}sulfonyl)piperidine-4-carboxamide
CID 5771493
1-[[5-[(E)-2-(dimethylamino)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 5308063
3-Methyl-5-[1-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 45914117
N,N-dimethyl-5-[[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]furan-2-sulfonamide
CID 53500063
N-methyl-2-(5-methylfuran-2-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidine-1-sulfonamide
CID 71929395
2-[(3R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-ethylpiperidin-4-yl]-N-(furan-2-ylmethyl)acetamide
CID 11912470
N-((1-(furan-2-ylmethyl)piperidin-4-yl)methyl)-3,5-dimethylisoxazole-4-sulfonamide
CID 45559095
N-[1-(furan-2-yl)propan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 45814029
2-{1-[(3,5-Dimethyl-1,2-oxazol-4-YL)sulfonyl]piperidin-4-YL}-N-[(furan-2-YL)methyl]acetamide
CID 53118686
2-{1-[(3,5-Dimethyl-1,2-oxazol-4-YL)sulfonyl]piperidin-4-YL}-N-[(furan-2-YL)methyl]propanamide
CID 53118738
(3,5-dimethyl-4-isoxazolylsulfonyl)[(S)-2-(2-furyl)-2-morpholinoethyl]amine
CID 93157754
1-[(3,5-Dimethyl-4-isoxazolyl)sulfonyl]-N~2~-methyl-4-phenoxy-2-pyrrolidinecarboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 93159863) is N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)NC[C@@H](c1ccco1)N1CCCC1.
What is the InChIKey of N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is YDBMOKRLORZQOW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21N3O4S/c1-11-15(12(2)22-17-11)23(19,20)16-10-13(14-6-5-9-21-14)18-7-3-4-8-18/h5-6,9,13,16H,3-4,7-8,10H2,1-2H3/t13-/m0/s1.
What are the key properties of N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 339.42 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 93159863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).