(2R,3S)-N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-2-methyloxolane-3-sulfonamide

C13H26N2O3S — CID 129446480

IUPAC(2R,3S)-N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-2-methyloxolane-3-sulfonamide
SMILESCCN1CCC[C@H](CNS(=O)(=O)[C@H]2CCO[C@@H]2C)C1
InChIInChI=1S/C13H26N2O3S/c1-3-15-7-4-5-12(10-15)9-14-19(16,17)13-6-8-18-11(13)2/h11-14H,3-10H2,1-2H3/t11-,12-,13+/m1/s1
InChIKeyXRMKHVZCRKINII-UPJWGTAASA-N
MW290.43 g/mol
LogP0.82
Rot. Bonds5

About (2R,3S)-N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-2-methyloxolane-3-sulfonamide

(2R,3S)-N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-2-methyloxolane-3-sulfonamide (PubChem CID 129446480) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is (2R,3S)-N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-2-methyloxolane-3-sulfonamide.

Molecular Properties

Compound Name(2R,3S)-N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-2-methyloxolane-3-sulfonamide
PubChem CID129446480
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC Name(2R,3S)-N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-2-methyloxolane-3-sulfonamide
SMILESCCN1CCC[C@H](CNS(=O)(=O)[C@H]2CCO[C@@H]2C)C1
InChIInChI=1S/C13H26N2O3S/c1-3-15-7-4-5-12(10-15)9-14-19(16,17)13-6-8-18-11(13)2/h11-14H,3-10H2,1-2H3/t11-,12-,13+/m1/s1
InChIKeyXRMKHVZCRKINII-UPJWGTAASA-N
XLogP0.82
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R,3S)-N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-2-methyloxolane-3-sulfonamide with MolForge

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Related Compounds

2-methyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]oxolane-3-sulfonamide
CID 128586353
N-[(1-ethylpiperidin-3-yl)methyl]-2,2,2-trifluoroethanesulfonamide
CID 71194517
N-[(1-ethylpyrrolidin-3-yl)methyl]-2-methyloxolan-3-amine
CID 115335792
2-cyclopentyl-N-[(1-ethylpiperidin-3-yl)methyl]acetamide
CID 75418465
N-[(1-ethylpiperidin-3-yl)methyl]cyclopentanamine;hydrochloride
CID 115597495
N-[(1-ethylpiperidin-3-yl)methyl]-1,1,1-trifluoromethanamine
CID 71635317
N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146211909
2-bromo-N-[(1-ethylpiperidin-3-yl)methyl]-4-methylbenzenesulfonamide
CID 47092430
1-chloro-N-[(1-methylpiperidin-3-yl)methyl]methanesulfonamide
CID 63666439
N-[(1-ethylpiperidin-3-yl)methyl]-2,2,2-trifluoroethanamine
CID 83982976
[(3S)-1-ethylpiperidin-3-yl]methanol
CID 26722496
[(3R)-1-ethylpiperidin-3-yl]methanamine
CID 7200431

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-2-methyloxolane-3-sulfonamide?
The IUPAC name of (2R,3S)-N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-2-methyloxolane-3-sulfonamide (CID 129446480) is (2R,3S)-N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-2-methyloxolane-3-sulfonamide.
What is the SMILES notation for (2R,3S)-N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-2-methyloxolane-3-sulfonamide?
The canonical SMILES for (2R,3S)-N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-2-methyloxolane-3-sulfonamide is CCN1CCC[C@H](CNS(=O)(=O)[C@H]2CCO[C@@H]2C)C1.
What is the InChIKey of (2R,3S)-N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-2-methyloxolane-3-sulfonamide?
The InChIKey is XRMKHVZCRKINII-UPJWGTAASA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-3-15-7-4-5-12(10-15)9-14-19(16,17)13-6-8-18-11(13)2/h11-14H,3-10H2,1-2H3/t11-,12-,13+/m1/s1.
What are the key properties of (2R,3S)-N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-2-methyloxolane-3-sulfonamide?
(2R,3S)-N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-2-methyloxolane-3-sulfonamide has a molecular weight of 290.43 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-2-methyloxolane-3-sulfonamide is sourced from PubChem (CID 129446480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).