5-[[(3R,4S)-3-cyclopropyl-4-(dimethylsulfamoylamino)pyrrolidin-1-yl]methyl]-3-(methoxymethyl)-1,2,4-oxadiazole

C14H25N5O4S — CID 133134643

IUPAC5-[[(3R,4S)-3-cyclopropyl-4-(dimethylsulfamoylamino)pyrrolidin-1-yl]methyl]-3-(methoxymethyl)-1,2,4-oxadiazole
SMILESCOCc1noc(CN2C[C@@H](NS(=O)(=O)N(C)C)[C@H](C3CC3)C2)n1
InChIInChI=1S/C14H25N5O4S/c1-18(2)24(20,21)17-12-7-19(6-11(12)10-4-5-10)8-14-15-13(9-22-3)16-23-14/h10-12,17H,4-9H2,1-3H3/t11-,12+/m0/s1
InChIKeyDNHCQPFGCLETCI-NWDGAFQWSA-N
MW359.45 g/mol
LogP-0.18
Rot. Bonds8

About 5-[[(3R,4S)-3-cyclopropyl-4-(dimethylsulfamoylamino)pyrrolidin-1-yl]methyl]-3-(methoxymethyl)-1,2,4-oxadiazole

5-[[(3R,4S)-3-cyclopropyl-4-(dimethylsulfamoylamino)pyrrolidin-1-yl]methyl]-3-(methoxymethyl)-1,2,4-oxadiazole (PubChem CID 133134643) has the molecular formula C14H25N5O4S and a molecular weight of 359.45 g/mol. Its IUPAC name is 5-[[(3R,4S)-3-cyclopropyl-4-(dimethylsulfamoylamino)pyrrolidin-1-yl]methyl]-3-(methoxymethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[(3R,4S)-3-cyclopropyl-4-(dimethylsulfamoylamino)pyrrolidin-1-yl]methyl]-3-(methoxymethyl)-1,2,4-oxadiazole
PubChem CID133134643
Molecular FormulaC14H25N5O4S
Molecular Weight359.45 g/mol
Exact Mass359.16
IUPAC Name5-[[(3R,4S)-3-cyclopropyl-4-(dimethylsulfamoylamino)pyrrolidin-1-yl]methyl]-3-(methoxymethyl)-1,2,4-oxadiazole
SMILESCOCc1noc(CN2C[C@@H](NS(=O)(=O)N(C)C)[C@H](C3CC3)C2)n1
InChIInChI=1S/C14H25N5O4S/c1-18(2)24(20,21)17-12-7-19(6-11(12)10-4-5-10)8-14-15-13(9-22-3)16-23-14/h10-12,17H,4-9H2,1-3H3/t11-,12+/m0/s1
InChIKeyDNHCQPFGCLETCI-NWDGAFQWSA-N
XLogP-0.18
TPSA100.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-cyclopropyl-5-[[(3S,4R)-3-cyclopropyl-4-(dimethylsulfamoylamino)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 72937372
N-[(3S,4R)-4-cyclopropyl-1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]cyclobutanecarboxamide
CID 133128736
N-[(3R,4S)-4-cyclopropyl-1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]cyclobutanecarboxamide;hydrochloride
CID 154899606
(3S,4R)-3-cyclopropyl-4-(dimethylsulfamoylamino)-1-(2-phenoxyethyl)pyrrolidine
CID 72840360
methyl 2-[[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]methyl]-1,3-oxazole-4-carboxylate
CID 72931528
N-[(3S,4R)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]cyclopropanesulfonamide
CID 133128421
2-[(2S)-4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-2-yl]ethanamine
CID 125436186
3-(methoxymethyl)-5-[[4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 91661796
(3aR,6aR)-5-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid
CID 139599601
(2R,6S)-2-butyl-4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-propan-2-ylmorpholine
CID 155509779
(1S,5R)-3-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-(1,3-thiazol-4-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 70758572
[1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-methylpiperidin-2-yl]methanol
CID 110017032

Frequently Asked Questions

What is the IUPAC name of 5-[[(3R,4S)-3-cyclopropyl-4-(dimethylsulfamoylamino)pyrrolidin-1-yl]methyl]-3-(methoxymethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[[(3R,4S)-3-cyclopropyl-4-(dimethylsulfamoylamino)pyrrolidin-1-yl]methyl]-3-(methoxymethyl)-1,2,4-oxadiazole (CID 133134643) is 5-[[(3R,4S)-3-cyclopropyl-4-(dimethylsulfamoylamino)pyrrolidin-1-yl]methyl]-3-(methoxymethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[(3R,4S)-3-cyclopropyl-4-(dimethylsulfamoylamino)pyrrolidin-1-yl]methyl]-3-(methoxymethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[[(3R,4S)-3-cyclopropyl-4-(dimethylsulfamoylamino)pyrrolidin-1-yl]methyl]-3-(methoxymethyl)-1,2,4-oxadiazole is COCc1noc(CN2C[C@@H](NS(=O)(=O)N(C)C)[C@H](C3CC3)C2)n1.
What is the InChIKey of 5-[[(3R,4S)-3-cyclopropyl-4-(dimethylsulfamoylamino)pyrrolidin-1-yl]methyl]-3-(methoxymethyl)-1,2,4-oxadiazole?
The InChIKey is DNHCQPFGCLETCI-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H25N5O4S/c1-18(2)24(20,21)17-12-7-19(6-11(12)10-4-5-10)8-14-15-13(9-22-3)16-23-14/h10-12,17H,4-9H2,1-3H3/t11-,12+/m0/s1.
What are the key properties of 5-[[(3R,4S)-3-cyclopropyl-4-(dimethylsulfamoylamino)pyrrolidin-1-yl]methyl]-3-(methoxymethyl)-1,2,4-oxadiazole?
5-[[(3R,4S)-3-cyclopropyl-4-(dimethylsulfamoylamino)pyrrolidin-1-yl]methyl]-3-(methoxymethyl)-1,2,4-oxadiazole has a molecular weight of 359.45 g/mol, XLogP of -0.18, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3R,4S)-3-cyclopropyl-4-(dimethylsulfamoylamino)pyrrolidin-1-yl]methyl]-3-(methoxymethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 133134643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).