N-[[(3S,4S)-4-methylpyrrolidin-3-yl]methyl]oxolane-3-sulfonamide

C10H20N2O3S — CID 165445051

IUPACN-[[(3S,4S)-4-methylpyrrolidin-3-yl]methyl]oxolane-3-sulfonamide
SMILESC[C@@H]1CNC[C@H]1CNS(=O)(=O)C1CCOC1
InChIInChI=1S/C10H20N2O3S/c1-8-4-11-5-9(8)6-12-16(13,14)10-2-3-15-7-10/h8-12H,2-7H2,1H3/t8-,9+,10?/m1/s1
InChIKeyNNYLEPCMZSDQMA-ZDGBYWQASA-N
MW248.35 g/mol
LogP-0.45
Rot. Bonds4

About N-[[(3S,4S)-4-methylpyrrolidin-3-yl]methyl]oxolane-3-sulfonamide

N-[[(3S,4S)-4-methylpyrrolidin-3-yl]methyl]oxolane-3-sulfonamide (PubChem CID 165445051) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is N-[[(3S,4S)-4-methylpyrrolidin-3-yl]methyl]oxolane-3-sulfonamide.

Molecular Properties

Compound NameN-[[(3S,4S)-4-methylpyrrolidin-3-yl]methyl]oxolane-3-sulfonamide
PubChem CID165445051
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC NameN-[[(3S,4S)-4-methylpyrrolidin-3-yl]methyl]oxolane-3-sulfonamide
SMILESC[C@@H]1CNC[C@H]1CNS(=O)(=O)C1CCOC1
InChIInChI=1S/C10H20N2O3S/c1-8-4-11-5-9(8)6-12-16(13,14)10-2-3-15-7-10/h8-12H,2-7H2,1H3/t8-,9+,10?/m1/s1
InChIKeyNNYLEPCMZSDQMA-ZDGBYWQASA-N
XLogP-0.45
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)oxolane-3-sulfonamide
CID 71871888
(3S)-N-[(3S,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]oxolane-3-sulfonamide
CID 129490512
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]oxolane-3-sulfonamide
CID 127332185
N-[[1-(oxolan-3-ylsulfonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146210451
N-[[(3R)-1-(oxolan-3-ylsulfonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146210589
N-(oxolan-3-ylmethyl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 55119442
N-methyl-1-[1-(oxan-4-ylsulfonyl)pyrrolidin-3-yl]methanamine
CID 55167517
3-(Oxolan-3-ylmethylamino)propane-1-sulfonamide
CID 61902468
[1-(Oxan-4-ylsulfonyl)pyrrolidin-3-yl]methanamine
CID 62061454
[1-(2-Methoxyethylsulfonyl)pyrrolidin-3-yl]methanamine
CID 62061634
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(oxolan-3-ylmethyl)ethanamine
CID 62566916
N-(oxolan-3-ylmethyl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 62822796

Frequently Asked Questions

What is the IUPAC name of N-[[(3S,4S)-4-methylpyrrolidin-3-yl]methyl]oxolane-3-sulfonamide?
The IUPAC name of N-[[(3S,4S)-4-methylpyrrolidin-3-yl]methyl]oxolane-3-sulfonamide (CID 165445051) is N-[[(3S,4S)-4-methylpyrrolidin-3-yl]methyl]oxolane-3-sulfonamide.
What is the SMILES notation for N-[[(3S,4S)-4-methylpyrrolidin-3-yl]methyl]oxolane-3-sulfonamide?
The canonical SMILES for N-[[(3S,4S)-4-methylpyrrolidin-3-yl]methyl]oxolane-3-sulfonamide is C[C@@H]1CNC[C@H]1CNS(=O)(=O)C1CCOC1.
What is the InChIKey of N-[[(3S,4S)-4-methylpyrrolidin-3-yl]methyl]oxolane-3-sulfonamide?
The InChIKey is NNYLEPCMZSDQMA-ZDGBYWQASA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-8-4-11-5-9(8)6-12-16(13,14)10-2-3-15-7-10/h8-12H,2-7H2,1H3/t8-,9+,10?/m1/s1.
What are the key properties of N-[[(3S,4S)-4-methylpyrrolidin-3-yl]methyl]oxolane-3-sulfonamide?
N-[[(3S,4S)-4-methylpyrrolidin-3-yl]methyl]oxolane-3-sulfonamide has a molecular weight of 248.35 g/mol, XLogP of -0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S,4S)-4-methylpyrrolidin-3-yl]methyl]oxolane-3-sulfonamide is sourced from PubChem (CID 165445051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).