(3R,4R)-3-[ethylsulfamoyl(methyl)amino]-4-hydroxypyrrolidine

C7H17N3O3S — CID 104978123

IUPAC(3R,4R)-3-[ethylsulfamoyl(methyl)amino]-4-hydroxypyrrolidine
SMILESCCNS(=O)(=O)N(C)[C@@H]1CNC[C@H]1O
InChIInChI=1S/C7H17N3O3S/c1-3-9-14(12,13)10(2)6-4-8-5-7(6)11/h6-9,11H,3-5H2,1-2H3/t6-,7-/m1/s1
InChIKeySSQGNVTZDXHADY-RNFRBKRXSA-N
MW223.30 g/mol
LogP-1.89
Rot. Bonds4

About (3R,4R)-3-[ethylsulfamoyl(methyl)amino]-4-hydroxypyrrolidine

(3R,4R)-3-[ethylsulfamoyl(methyl)amino]-4-hydroxypyrrolidine (PubChem CID 104978123) has the molecular formula C7H17N3O3S and a molecular weight of 223.30 g/mol. Its IUPAC name is (3R,4R)-3-[ethylsulfamoyl(methyl)amino]-4-hydroxypyrrolidine.

Molecular Properties

Compound Name(3R,4R)-3-[ethylsulfamoyl(methyl)amino]-4-hydroxypyrrolidine
PubChem CID104978123
Molecular FormulaC7H17N3O3S
Molecular Weight223.30 g/mol
Exact Mass223.10
IUPAC Name(3R,4R)-3-[ethylsulfamoyl(methyl)amino]-4-hydroxypyrrolidine
SMILESCCNS(=O)(=O)N(C)[C@@H]1CNC[C@H]1O
InChIInChI=1S/C7H17N3O3S/c1-3-9-14(12,13)10(2)6-4-8-5-7(6)11/h6-9,11H,3-5H2,1-2H3/t6-,7-/m1/s1
InChIKeySSQGNVTZDXHADY-RNFRBKRXSA-N
XLogP-1.89
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 5-1.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylethanesulfonamide
CID 63246304
(3R,4R)-4-(dimethylamino)pyrrolidin-3-ol
CID 58007276
methyl 4-[[(3R,4R)-4-hydroxypyrrolidin-3-yl]-methylsulfamoyl]butanoate
CID 54952012
(3S,4R)-4-(diethylamino)pyrrolidin-3-ol
CID 129371186
4-[methyl(pentan-2-yl)amino]pyrrolidin-3-ol
CID 63702364
N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylethanesulfinamide
CID 130762734
(3R,4S)-4-(dimethylamino)pyrrolidin-3-ol;dihydrochloride
CID 112756828
N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-propan-2-yloxyethanesulfonamide
CID 79594745
N-(4-hydroxypyrrolidin-3-yl)-N-methylbutanamide
CID 74884134
(3R,4R)-4-[[benzyl(methyl)sulfamoyl]-methylamino]pyrrolidin-3-ol
CID 43598392
1-ethyl-N-[(3S,4S)-4-hydroxypyrrolidin-3-yl]-N-methylimidazole-4-sulfonamide
CID 114088856
3-butyl-1-(4-hydroxypyrrolidin-3-yl)-1-methylurea
CID 74884545

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-[ethylsulfamoyl(methyl)amino]-4-hydroxypyrrolidine?
The IUPAC name of (3R,4R)-3-[ethylsulfamoyl(methyl)amino]-4-hydroxypyrrolidine (CID 104978123) is (3R,4R)-3-[ethylsulfamoyl(methyl)amino]-4-hydroxypyrrolidine.
What is the SMILES notation for (3R,4R)-3-[ethylsulfamoyl(methyl)amino]-4-hydroxypyrrolidine?
The canonical SMILES for (3R,4R)-3-[ethylsulfamoyl(methyl)amino]-4-hydroxypyrrolidine is CCNS(=O)(=O)N(C)[C@@H]1CNC[C@H]1O.
What is the InChIKey of (3R,4R)-3-[ethylsulfamoyl(methyl)amino]-4-hydroxypyrrolidine?
The InChIKey is SSQGNVTZDXHADY-RNFRBKRXSA-N. The full InChI is InChI=1S/C7H17N3O3S/c1-3-9-14(12,13)10(2)6-4-8-5-7(6)11/h6-9,11H,3-5H2,1-2H3/t6-,7-/m1/s1.
What are the key properties of (3R,4R)-3-[ethylsulfamoyl(methyl)amino]-4-hydroxypyrrolidine?
(3R,4R)-3-[ethylsulfamoyl(methyl)amino]-4-hydroxypyrrolidine has a molecular weight of 223.30 g/mol, XLogP of -1.89, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-[ethylsulfamoyl(methyl)amino]-4-hydroxypyrrolidine is sourced from PubChem (CID 104978123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).