(3S,4R)-3-cyclopropyl-4-(dimethylsulfamoylamino)-1-(2-phenoxyethyl)pyrrolidine

C17H27N3O3S — CID 72840360

IUPAC(3S,4R)-3-cyclopropyl-4-(dimethylsulfamoylamino)-1-(2-phenoxyethyl)pyrrolidine
SMILESCN(C)S(=O)(=O)N[C@H]1CN(CCOc2ccccc2)C[C@@H]1C1CC1
InChIInChI=1S/C17H27N3O3S/c1-19(2)24(21,22)18-17-13-20(12-16(17)14-8-9-14)10-11-23-15-6-4-3-5-7-15/h3-7,14,16-18H,8-13H2,1-2H3/t16-,17+/m1/s1
InChIKeyYDAZNCQKKIXRPB-SJORKVTESA-N
MW353.49 g/mol
LogP1.17
Rot. Bonds8

About (3S,4R)-3-cyclopropyl-4-(dimethylsulfamoylamino)-1-(2-phenoxyethyl)pyrrolidine

(3S,4R)-3-cyclopropyl-4-(dimethylsulfamoylamino)-1-(2-phenoxyethyl)pyrrolidine (PubChem CID 72840360) has the molecular formula C17H27N3O3S and a molecular weight of 353.49 g/mol. Its IUPAC name is (3S,4R)-3-cyclopropyl-4-(dimethylsulfamoylamino)-1-(2-phenoxyethyl)pyrrolidine.

Molecular Properties

Compound Name(3S,4R)-3-cyclopropyl-4-(dimethylsulfamoylamino)-1-(2-phenoxyethyl)pyrrolidine
PubChem CID72840360
Molecular FormulaC17H27N3O3S
Molecular Weight353.49 g/mol
Exact Mass353.18
IUPAC Name(3S,4R)-3-cyclopropyl-4-(dimethylsulfamoylamino)-1-(2-phenoxyethyl)pyrrolidine
SMILESCN(C)S(=O)(=O)N[C@H]1CN(CCOc2ccccc2)C[C@@H]1C1CC1
InChIInChI=1S/C17H27N3O3S/c1-19(2)24(21,22)18-17-13-20(12-16(17)14-8-9-14)10-11-23-15-6-4-3-5-7-15/h3-7,14,16-18H,8-13H2,1-2H3/t16-,17+/m1/s1
InChIKeyYDAZNCQKKIXRPB-SJORKVTESA-N
XLogP1.17
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R,4S)-4-cyclopropyl-1-[2-(2-methoxyphenoxy)ethyl]pyrrolidin-3-yl]methanesulfonamide;hydrochloride
CID 154897828
(3S,4R)-3-(dimethylsulfamoylamino)-1-[2-(4-fluorophenoxy)ethyl]-4-propan-2-ylpyrrolidine
CID 72914531
(1S,5R)-3-(4-phenoxybutyl)-3-azabicyclo[3.2.1]octan-8-amine;dihydrochloride
CID 154908285
5-[[(3R,4S)-3-cyclopropyl-4-(dimethylsulfamoylamino)pyrrolidin-1-yl]methyl]-3-(methoxymethyl)-1,2,4-oxadiazole
CID 133134643
N,N-dimethyl-4-[2-[(3R)-3-phenylpyrrolidin-1-yl]ethoxy]benzenesulfonamide
CID 95142828
3-(dimethylsulfamoylamino)propoxybenzene
CID 35331180
1-(2-methylsulfonylethyl)-4-(2-phenoxyethyl)piperazine
CID 78792856
(1-ethylsulfonylpiperidin-4-yl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
CID 55395381
N,N-dimethyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 78792872
(1R,5R)-N,N-dimethyl-6-(3-phenoxypropyl)-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide
CID 70785958
4-fluoro-N-[1-(2-phenoxyethyl)pyrrolidin-3-yl]benzenesulfonamide
CID 71456782
3-(3-phenoxypropyl)-3-azabicyclo[3.1.0]hexane
CID 91429210

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-cyclopropyl-4-(dimethylsulfamoylamino)-1-(2-phenoxyethyl)pyrrolidine?
The IUPAC name of (3S,4R)-3-cyclopropyl-4-(dimethylsulfamoylamino)-1-(2-phenoxyethyl)pyrrolidine (CID 72840360) is (3S,4R)-3-cyclopropyl-4-(dimethylsulfamoylamino)-1-(2-phenoxyethyl)pyrrolidine.
What is the SMILES notation for (3S,4R)-3-cyclopropyl-4-(dimethylsulfamoylamino)-1-(2-phenoxyethyl)pyrrolidine?
The canonical SMILES for (3S,4R)-3-cyclopropyl-4-(dimethylsulfamoylamino)-1-(2-phenoxyethyl)pyrrolidine is CN(C)S(=O)(=O)N[C@H]1CN(CCOc2ccccc2)C[C@@H]1C1CC1.
What is the InChIKey of (3S,4R)-3-cyclopropyl-4-(dimethylsulfamoylamino)-1-(2-phenoxyethyl)pyrrolidine?
The InChIKey is YDAZNCQKKIXRPB-SJORKVTESA-N. The full InChI is InChI=1S/C17H27N3O3S/c1-19(2)24(21,22)18-17-13-20(12-16(17)14-8-9-14)10-11-23-15-6-4-3-5-7-15/h3-7,14,16-18H,8-13H2,1-2H3/t16-,17+/m1/s1.
What are the key properties of (3S,4R)-3-cyclopropyl-4-(dimethylsulfamoylamino)-1-(2-phenoxyethyl)pyrrolidine?
(3S,4R)-3-cyclopropyl-4-(dimethylsulfamoylamino)-1-(2-phenoxyethyl)pyrrolidine has a molecular weight of 353.49 g/mol, XLogP of 1.17, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-cyclopropyl-4-(dimethylsulfamoylamino)-1-(2-phenoxyethyl)pyrrolidine is sourced from PubChem (CID 72840360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).