N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-propan-2-yloxyethanesulfonamide

C10H22N2O4S — CID 79594745

IUPACN-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-propan-2-yloxyethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)N(C)[C@@H]1CNC[C@H]1O
InChIInChI=1S/C10H22N2O4S/c1-8(2)16-4-5-17(14,15)12(3)9-6-11-7-10(9)13/h8-11,13H,4-7H2,1-3H3/t9-,10-/m1/s1
InChIKeyVEYXJZATHHMGQF-NXEZZACHSA-N
MW266.36 g/mol
LogP-0.99
Rot. Bonds6

About N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-propan-2-yloxyethanesulfonamide

N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-propan-2-yloxyethanesulfonamide (PubChem CID 79594745) has the molecular formula C10H22N2O4S and a molecular weight of 266.36 g/mol. Its IUPAC name is N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-propan-2-yloxyethanesulfonamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-propan-2-yloxyethanesulfonamide
PubChem CID79594745
Molecular FormulaC10H22N2O4S
Molecular Weight266.36 g/mol
Exact Mass266.13
IUPAC NameN-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-propan-2-yloxyethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)N(C)[C@@H]1CNC[C@H]1O
InChIInChI=1S/C10H22N2O4S/c1-8(2)16-4-5-17(14,15)12(3)9-6-11-7-10(9)13/h8-11,13H,4-7H2,1-3H3/t9-,10-/m1/s1
InChIKeyVEYXJZATHHMGQF-NXEZZACHSA-N
XLogP-0.99
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethoxy-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylethanesulfonamide
CID 63246304
methyl 4-[[(3R,4R)-4-hydroxypyrrolidin-3-yl]-methylsulfamoyl]butanoate
CID 54952012
N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-pyridin-4-ylethanesulfonamide
CID 61142839
N-[4-(ethylamino)cyclohexyl]-N-methyl-2-propan-2-yloxyethanesulfonamide
CID 79593829
(3R,4R)-3-[ethylsulfamoyl(methyl)amino]-4-hydroxypyrrolidine
CID 104978123
N-ethyl-N-piperidin-3-yl-2-propan-2-yloxyethanesulfonamide
CID 79594528
N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-4-(2-methylpropyl)benzenesulfonamide
CID 43598434
N-cyclopentyl-N-(2-hydroxyethyl)-2-propan-2-yloxyethanesulfonamide
CID 79593960
N-methyl-N-[2-(methylamino)ethyl]-2-propan-2-yloxyethanesulfonamide
CID 79593859
2-[ethyl(2-propan-2-yloxyethylsulfonyl)amino]-2-methylpropanoic acid
CID 79594364
(3R,4R)-4-[methyl(3-methylbutan-2-yl)amino]pyrrolidin-3-ol
CID 122236823
4-[bis(2-methylpropyl)amino]pyrrolidin-3-ol
CID 63703686

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-propan-2-yloxyethanesulfonamide?
The IUPAC name of N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-propan-2-yloxyethanesulfonamide (CID 79594745) is N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-propan-2-yloxyethanesulfonamide.
What is the SMILES notation for N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-propan-2-yloxyethanesulfonamide?
The canonical SMILES for N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-propan-2-yloxyethanesulfonamide is CC(C)OCCS(=O)(=O)N(C)[C@@H]1CNC[C@H]1O.
What is the InChIKey of N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-propan-2-yloxyethanesulfonamide?
The InChIKey is VEYXJZATHHMGQF-NXEZZACHSA-N. The full InChI is InChI=1S/C10H22N2O4S/c1-8(2)16-4-5-17(14,15)12(3)9-6-11-7-10(9)13/h8-11,13H,4-7H2,1-3H3/t9-,10-/m1/s1.
What are the key properties of N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-propan-2-yloxyethanesulfonamide?
N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-propan-2-yloxyethanesulfonamide has a molecular weight of 266.36 g/mol, XLogP of -0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-propan-2-yloxyethanesulfonamide is sourced from PubChem (CID 79594745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).