N-[(3R,4S)-1-ethyl-4-methylpyrrolidin-3-yl]-2-methoxyethanesulfonamide

C10H22N2O3S — CID 98772930

IUPACN-[(3R,4S)-1-ethyl-4-methylpyrrolidin-3-yl]-2-methoxyethanesulfonamide
SMILESCCN1C[C@H](NS(=O)(=O)CCOC)[C@@H](C)C1
InChIInChI=1S/C10H22N2O3S/c1-4-12-7-9(2)10(8-12)11-16(13,14)6-5-15-3/h9-11H,4-8H2,1-3H3/t9-,10-/m0/s1
InChIKeySNWMGELHKNHYGL-UWVGGRQHSA-N
MW250.36 g/mol
LogP-0.11
Rot. Bonds6

About N-[(3R,4S)-1-ethyl-4-methylpyrrolidin-3-yl]-2-methoxyethanesulfonamide

N-[(3R,4S)-1-ethyl-4-methylpyrrolidin-3-yl]-2-methoxyethanesulfonamide (PubChem CID 98772930) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is N-[(3R,4S)-1-ethyl-4-methylpyrrolidin-3-yl]-2-methoxyethanesulfonamide.

Molecular Properties

Compound NameN-[(3R,4S)-1-ethyl-4-methylpyrrolidin-3-yl]-2-methoxyethanesulfonamide
PubChem CID98772930
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC NameN-[(3R,4S)-1-ethyl-4-methylpyrrolidin-3-yl]-2-methoxyethanesulfonamide
SMILESCCN1C[C@H](NS(=O)(=O)CCOC)[C@@H](C)C1
InChIInChI=1S/C10H22N2O3S/c1-4-12-7-9(2)10(8-12)11-16(13,14)6-5-15-3/h9-11H,4-8H2,1-3H3/t9-,10-/m0/s1
InChIKeySNWMGELHKNHYGL-UWVGGRQHSA-N
XLogP-0.11
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R,4R)-1-ethyl-4-methylpyrrolidin-3-yl]-2-methoxyethanesulfonamide
CID 100838000
(3R)-1-ethyl-3,4-dimethylpyrrolidine
CID 144761230
N-(2-aminocycloheptyl)-2-methoxyethanesulfonamide
CID 63258881
N-[(1S,2S)-2-(hydroxymethyl)cycloheptyl]-2-methoxyethanesulfonamide
CID 97246599
4-(2-methoxyethylsulfonylamino)-2,2,3-trimethylcyclohexane-1-carboxylic acid
CID 102627799
2-methoxy-N-[(3R)-piperidin-3-yl]ethanesulfonamide
CID 104645644
1-ethyl-3-methoxy-4-methylpyrrolidine
CID 91075489
N-[(3R,4R)-1-ethyl-4-methylpyrrolidin-3-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 100871471
N-ethoxy-2-methoxyethanesulfonamide
CID 64973778
N-(2,3-dimethylcyclopentyl)propane-1-sulfonamide
CID 64923274
2-ethoxy-N-(3-methylpiperidin-4-yl)ethanesulfonamide
CID 79886103
3-methoxy-N-(2-methylpiperidin-3-yl)propane-1-sulfonamide
CID 79043799

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-1-ethyl-4-methylpyrrolidin-3-yl]-2-methoxyethanesulfonamide?
The IUPAC name of N-[(3R,4S)-1-ethyl-4-methylpyrrolidin-3-yl]-2-methoxyethanesulfonamide (CID 98772930) is N-[(3R,4S)-1-ethyl-4-methylpyrrolidin-3-yl]-2-methoxyethanesulfonamide.
What is the SMILES notation for N-[(3R,4S)-1-ethyl-4-methylpyrrolidin-3-yl]-2-methoxyethanesulfonamide?
The canonical SMILES for N-[(3R,4S)-1-ethyl-4-methylpyrrolidin-3-yl]-2-methoxyethanesulfonamide is CCN1C[C@H](NS(=O)(=O)CCOC)[C@@H](C)C1.
What is the InChIKey of N-[(3R,4S)-1-ethyl-4-methylpyrrolidin-3-yl]-2-methoxyethanesulfonamide?
The InChIKey is SNWMGELHKNHYGL-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-4-12-7-9(2)10(8-12)11-16(13,14)6-5-15-3/h9-11H,4-8H2,1-3H3/t9-,10-/m0/s1.
What are the key properties of N-[(3R,4S)-1-ethyl-4-methylpyrrolidin-3-yl]-2-methoxyethanesulfonamide?
N-[(3R,4S)-1-ethyl-4-methylpyrrolidin-3-yl]-2-methoxyethanesulfonamide has a molecular weight of 250.36 g/mol, XLogP of -0.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-1-ethyl-4-methylpyrrolidin-3-yl]-2-methoxyethanesulfonamide is sourced from PubChem (CID 98772930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).