(2R)-N-cyclopropyl-2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]propanamide

C12H17N3O4S — CID 51947102

IUPAC(2R)-N-cyclopropyl-2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]propanamide
SMILESC[C@H](C(=O)NC1CC1)S(=O)(=O)Cc1nc(C2CC2)no1
InChIInChI=1S/C12H17N3O4S/c1-7(12(16)13-9-4-5-9)20(17,18)6-10-14-11(15-19-10)8-2-3-8/h7-9H,2-6H2,1H3,(H,13,16)/t7-/m1/s1
InChIKeyHNGDDUJWXQFWIO-SSDOTTSWSA-N
MW299.35 g/mol
LogP0.53
Rot. Bonds6

About (2R)-N-cyclopropyl-2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]propanamide

(2R)-N-cyclopropyl-2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]propanamide (PubChem CID 51947102) has the molecular formula C12H17N3O4S and a molecular weight of 299.35 g/mol. Its IUPAC name is (2R)-N-cyclopropyl-2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]propanamide.

Molecular Properties

Compound Name(2R)-N-cyclopropyl-2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]propanamide
PubChem CID51947102
Molecular FormulaC12H17N3O4S
Molecular Weight299.35 g/mol
Exact Mass299.09
IUPAC Name(2R)-N-cyclopropyl-2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]propanamide
SMILESC[C@H](C(=O)NC1CC1)S(=O)(=O)Cc1nc(C2CC2)no1
InChIInChI=1S/C12H17N3O4S/c1-7(12(16)13-9-4-5-9)20(17,18)6-10-14-11(15-19-10)8-2-3-8/h7-9H,2-6H2,1H3,(H,13,16)/t7-/m1/s1
InChIKeyHNGDDUJWXQFWIO-SSDOTTSWSA-N
XLogP0.53
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-cyclopropyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]propanamide
CID 94091601
(2S)-N-cyclopentyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]propanamide
CID 94087763
5-[[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]sulfonylmethyl]-3-ethyl-1,2,4-oxadiazole
CID 95152762
(2R)-N-cyclopropyl-2-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]propanamide
CID 94087908
4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-2-one
CID 63346459
2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 94025513
3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-(2,2-dimethylpropylsulfonyl)propanamide
CID 99812784
(2S)-N-cyclopropyl-2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfonyl]propanamide
CID 51947084
2-(azepan-1-yl)-N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 90648888
1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-3-methylbutan-2-ol
CID 63345168
N-[[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 65424237
1-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-one
CID 65415674

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopropyl-2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]propanamide?
The IUPAC name of (2R)-N-cyclopropyl-2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]propanamide (CID 51947102) is (2R)-N-cyclopropyl-2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]propanamide.
What is the SMILES notation for (2R)-N-cyclopropyl-2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]propanamide?
The canonical SMILES for (2R)-N-cyclopropyl-2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]propanamide is C[C@H](C(=O)NC1CC1)S(=O)(=O)Cc1nc(C2CC2)no1.
What is the InChIKey of (2R)-N-cyclopropyl-2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]propanamide?
The InChIKey is HNGDDUJWXQFWIO-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H17N3O4S/c1-7(12(16)13-9-4-5-9)20(17,18)6-10-14-11(15-19-10)8-2-3-8/h7-9H,2-6H2,1H3,(H,13,16)/t7-/m1/s1.
What are the key properties of (2R)-N-cyclopropyl-2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]propanamide?
(2R)-N-cyclopropyl-2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]propanamide has a molecular weight of 299.35 g/mol, XLogP of 0.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopropyl-2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]propanamide is sourced from PubChem (CID 51947102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).