(3R,4S)-3-[[ethyl(methyl)sulfamoyl]amino]-1-(2-methoxyethyl)-4-propylpyrrolidine

C13H29N3O3S — CID 72882692

IUPAC(3R,4S)-3-[[ethyl(methyl)sulfamoyl]amino]-1-(2-methoxyethyl)-4-propylpyrrolidine
SMILESCCC[C@H]1CN(CCOC)C[C@@H]1NS(=O)(=O)N(C)CC
InChIInChI=1S/C13H29N3O3S/c1-5-7-12-10-16(8-9-19-4)11-13(12)14-20(17,18)15(3)6-2/h12-14H,5-11H2,1-4H3/t12-,13-/m0/s1
InChIKeyNJULEIXURCNPQU-STQMWFEESA-N
MW307.46 g/mol
LogP0.52
Rot. Bonds9

About (3R,4S)-3-[[ethyl(methyl)sulfamoyl]amino]-1-(2-methoxyethyl)-4-propylpyrrolidine

(3R,4S)-3-[[ethyl(methyl)sulfamoyl]amino]-1-(2-methoxyethyl)-4-propylpyrrolidine (PubChem CID 72882692) has the molecular formula C13H29N3O3S and a molecular weight of 307.46 g/mol. Its IUPAC name is (3R,4S)-3-[[ethyl(methyl)sulfamoyl]amino]-1-(2-methoxyethyl)-4-propylpyrrolidine.

Molecular Properties

Compound Name(3R,4S)-3-[[ethyl(methyl)sulfamoyl]amino]-1-(2-methoxyethyl)-4-propylpyrrolidine
PubChem CID72882692
Molecular FormulaC13H29N3O3S
Molecular Weight307.46 g/mol
Exact Mass307.19
IUPAC Name(3R,4S)-3-[[ethyl(methyl)sulfamoyl]amino]-1-(2-methoxyethyl)-4-propylpyrrolidine
SMILESCCC[C@H]1CN(CCOC)C[C@@H]1NS(=O)(=O)N(C)CC
InChIInChI=1S/C13H29N3O3S/c1-5-7-12-10-16(8-9-19-4)11-13(12)14-20(17,18)15(3)6-2/h12-14H,5-11H2,1-4H3/t12-,13-/m0/s1
InChIKeyNJULEIXURCNPQU-STQMWFEESA-N
XLogP0.52
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

rel-(3R,4S)-N,N-dimethyl-1-(4-morpholinylsulfonyl)-4-propyl-3-pyrrolidinamine hydrochloride
CID 72845651
(3R*,4S*)-4-cyclopropyl-1-(4-morpholinylsulfonyl)-3-pyrrolidinamine
CID 72877504
2,2-Diethyl-1-(2-methoxyethyl)pyrrolidin-3-amine
CID 57623271
1-[4-ethyl-1-(2-methoxyethyl)pyrrolidin-2-yl]-N-methylmethanamine
CID 123163090
(3S,4R)-4-tert-butyl-1-(2-methoxyethyl)pyrrolidin-3-amine
CID 141502298
3-[(3S,4R)-4-amino-1-[[(2S)-2-amino-3-methoxypropyl]sulfamoyl]pyrrolidin-3-yl]propylboronic acid
CID 164837730
2-[[[Cyclohexyl(methyl)sulfamoyl]amino]methyl]-1-(2-methoxyethyl)pyrrolidine
CID 53551520
2-[[[Butyl(methyl)sulfamoyl]amino]methyl]-1-(2-methoxyethyl)pyrrolidine
CID 53560747
3-Methyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)hexan-1-amine
CID 55159936
2-N,2-N-bis(2-methoxyethyl)-3-methylhexane-1,2-diamine
CID 61967380
N-[[1-(cyclopentylmethyl)pyrrolidin-2-yl]methyl]-2-methoxyethanamine
CID 62580928
3-Methyl-6-(3-morpholin-4-ylpyrrolidin-1-yl)hexan-1-amine
CID 64348210

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-[[ethyl(methyl)sulfamoyl]amino]-1-(2-methoxyethyl)-4-propylpyrrolidine?
The IUPAC name of (3R,4S)-3-[[ethyl(methyl)sulfamoyl]amino]-1-(2-methoxyethyl)-4-propylpyrrolidine (CID 72882692) is (3R,4S)-3-[[ethyl(methyl)sulfamoyl]amino]-1-(2-methoxyethyl)-4-propylpyrrolidine.
What is the SMILES notation for (3R,4S)-3-[[ethyl(methyl)sulfamoyl]amino]-1-(2-methoxyethyl)-4-propylpyrrolidine?
The canonical SMILES for (3R,4S)-3-[[ethyl(methyl)sulfamoyl]amino]-1-(2-methoxyethyl)-4-propylpyrrolidine is CCC[C@H]1CN(CCOC)C[C@@H]1NS(=O)(=O)N(C)CC.
What is the InChIKey of (3R,4S)-3-[[ethyl(methyl)sulfamoyl]amino]-1-(2-methoxyethyl)-4-propylpyrrolidine?
The InChIKey is NJULEIXURCNPQU-STQMWFEESA-N. The full InChI is InChI=1S/C13H29N3O3S/c1-5-7-12-10-16(8-9-19-4)11-13(12)14-20(17,18)15(3)6-2/h12-14H,5-11H2,1-4H3/t12-,13-/m0/s1.
What are the key properties of (3R,4S)-3-[[ethyl(methyl)sulfamoyl]amino]-1-(2-methoxyethyl)-4-propylpyrrolidine?
(3R,4S)-3-[[ethyl(methyl)sulfamoyl]amino]-1-(2-methoxyethyl)-4-propylpyrrolidine has a molecular weight of 307.46 g/mol, XLogP of 0.52, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-[[ethyl(methyl)sulfamoyl]amino]-1-(2-methoxyethyl)-4-propylpyrrolidine is sourced from PubChem (CID 72882692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).