(3R,4S)-3-(dimethylamino)-4-(3-methoxyphenyl)pyrrolidine-1-sulfonamide

C13H21N3O3S — CID 86283654

IUPAC(3R,4S)-3-(dimethylamino)-4-(3-methoxyphenyl)pyrrolidine-1-sulfonamide
SMILESCOc1cccc([C@H]2CN(S(N)(=O)=O)C[C@@H]2N(C)C)c1
InChIInChI=1S/C13H21N3O3S/c1-15(2)13-9-16(20(14,17)18)8-12(13)10-5-4-6-11(7-10)19-3/h4-7,12-13H,8-9H2,1-3H3,(H2,14,17,18)/t12-,13+/m1/s1
InChIKeyNNBLZPNAEAWWLQ-OLZOCXBDSA-N
MW299.40 g/mol
LogP0.23
Rot. Bonds4

About (3R,4S)-3-(dimethylamino)-4-(3-methoxyphenyl)pyrrolidine-1-sulfonamide

(3R,4S)-3-(dimethylamino)-4-(3-methoxyphenyl)pyrrolidine-1-sulfonamide (PubChem CID 86283654) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is (3R,4S)-3-(dimethylamino)-4-(3-methoxyphenyl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name(3R,4S)-3-(dimethylamino)-4-(3-methoxyphenyl)pyrrolidine-1-sulfonamide
PubChem CID86283654
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name(3R,4S)-3-(dimethylamino)-4-(3-methoxyphenyl)pyrrolidine-1-sulfonamide
SMILESCOc1cccc([C@H]2CN(S(N)(=O)=O)C[C@@H]2N(C)C)c1
InChIInChI=1S/C13H21N3O3S/c1-15(2)13-9-16(20(14,17)18)8-12(13)10-5-4-6-11(7-10)19-3/h4-7,12-13H,8-9H2,1-3H3,(H2,14,17,18)/t12-,13+/m1/s1
InChIKeyNNBLZPNAEAWWLQ-OLZOCXBDSA-N
XLogP0.23
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4S)-1-cyclopropylsulfonyl-4-(3-methoxyphenyl)-N,N-dimethylpyrrolidin-3-amine;hydrochloride
CID 154897375
(3S,4R)-4-(3-methoxyphenyl)-1-sulfamoylpyrrolidine-3-carboxylic acid
CID 72920244
(3R,4S)-1-(benzenesulfonyl)-4-(3-methoxyphenyl)-N-methyl-N-propan-2-ylpyrrolidine-3-carboxamide
CID 93154582
4-[(3R,4S)-3-amino-4-(3-methoxyphenyl)pyrrolidine-1-carbonyl]benzenesulfonamide
CID 72881044
3-(3-methoxyphenyl)-1-azabicyclo[2.2.2]octane
CID 19802591
3-amino-N-[(3-methoxyphenyl)methyl]-N-methylazetidine-1-sulfonamide
CID 65245123
1-methoxy-3-[methyl(sulfamoyl)amino]benzene
CID 112573732
1-[(1S,2S)-2-(3-methoxyphenyl)cyclopropyl]ethanone
CID 28912388
(2R,3S,6R)-5-cyclopropylsulfonyl-3-(3-methoxyphenyl)-1,5-diazatricyclo[5.2.2.02,6]undecane
CID 56887688
(2R,3R,6R)-5-cyclopropylsulfonyl-3-(3-methoxyphenyl)-1,5-diazatricyclo[5.2.2.02,6]undecane
CID 56888490
1-(4-chlorophenyl)sulfonyl-4-(3-methoxyphenyl)piperidine
CID 139619012
2-(3-methoxyphenyl)cyclopentan-1-amine
CID 62605139

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-(dimethylamino)-4-(3-methoxyphenyl)pyrrolidine-1-sulfonamide?
The IUPAC name of (3R,4S)-3-(dimethylamino)-4-(3-methoxyphenyl)pyrrolidine-1-sulfonamide (CID 86283654) is (3R,4S)-3-(dimethylamino)-4-(3-methoxyphenyl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for (3R,4S)-3-(dimethylamino)-4-(3-methoxyphenyl)pyrrolidine-1-sulfonamide?
The canonical SMILES for (3R,4S)-3-(dimethylamino)-4-(3-methoxyphenyl)pyrrolidine-1-sulfonamide is COc1cccc([C@H]2CN(S(N)(=O)=O)C[C@@H]2N(C)C)c1.
What is the InChIKey of (3R,4S)-3-(dimethylamino)-4-(3-methoxyphenyl)pyrrolidine-1-sulfonamide?
The InChIKey is NNBLZPNAEAWWLQ-OLZOCXBDSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-15(2)13-9-16(20(14,17)18)8-12(13)10-5-4-6-11(7-10)19-3/h4-7,12-13H,8-9H2,1-3H3,(H2,14,17,18)/t12-,13+/m1/s1.
What are the key properties of (3R,4S)-3-(dimethylamino)-4-(3-methoxyphenyl)pyrrolidine-1-sulfonamide?
(3R,4S)-3-(dimethylamino)-4-(3-methoxyphenyl)pyrrolidine-1-sulfonamide has a molecular weight of 299.40 g/mol, XLogP of 0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-(dimethylamino)-4-(3-methoxyphenyl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 86283654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).