N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]butane-1-sulfonamide

C9H19FN2O2S — CID 70758179

IUPACN-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC[C@@H]1C[C@H](F)CN1
InChIInChI=1S/C9H19FN2O2S/c1-2-3-4-15(13,14)12-7-9-5-8(10)6-11-9/h8-9,11-12H,2-7H2,1H3/t8-,9-/m0/s1
InChIKeyMALIAFGKNKLRDC-IUCAKERBSA-N
MW238.33 g/mol
LogP0.41
Rot. Bonds6

About N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]butane-1-sulfonamide

N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]butane-1-sulfonamide (PubChem CID 70758179) has the molecular formula C9H19FN2O2S and a molecular weight of 238.33 g/mol. Its IUPAC name is N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]butane-1-sulfonamide
PubChem CID70758179
Molecular FormulaC9H19FN2O2S
Molecular Weight238.33 g/mol
Exact Mass238.12
IUPAC NameN-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC[C@@H]1C[C@H](F)CN1
InChIInChI=1S/C9H19FN2O2S/c1-2-3-4-15(13,14)12-7-9-5-8(10)6-11-9/h8-9,11-12H,2-7H2,1H3/t8-,9-/m0/s1
InChIKeyMALIAFGKNKLRDC-IUCAKERBSA-N
XLogP0.41
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-pyrrolidin-2-yl]methanesulfonamide
CID 52326752
N-(Pyrrolidin-3-yl)propane-1-sulfonamide
CID 43602878
Pyrrolidin-2-ylmethanesulfonamide
CID 54593028
N-methyl-1-pyrrolidin-2-ylmethanesulfonamide
CID 61546212
2-{[(2R)-pyrrolidin-2-yl]methyl}-1lambda6,2-thiazolidine-1,1-dione hydrochloride
CID 145913542
N,N-dimethyl-2-(piperidin-3-ylamino)ethanesulfonamide
CID 56700520
N-(propan-2-yl)pyrrolidine-3-sulfonamide
CID 65422638
3-Cyano-N-[(1-ethylpyrrolidin-2-YL)methyl]propane-1-sulfonamide
CID 86801799
N-[(3S)-1-cyclopentylpyrrolidin-3-yl]butane-1-sulfonamide
CID 95322394
N-(2-ethylpyrrolidin-3-yl)cyclopropanesulfonamide
CID 171359320
2,2,2-trifluoro-N-[[(2S)-pyrrolidin-2-yl]methyl]ethanesulfonamide
CID 59651766
N-[(1-butan-2-yl-4-fluoropyrrolidin-2-yl)methyl]methanesulfonamide
CID 118241809

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]butane-1-sulfonamide?
The IUPAC name of N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]butane-1-sulfonamide (CID 70758179) is N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]butane-1-sulfonamide.
What is the SMILES notation for N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]butane-1-sulfonamide?
The canonical SMILES for N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]butane-1-sulfonamide is CCCCS(=O)(=O)NC[C@@H]1C[C@H](F)CN1.
What is the InChIKey of N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]butane-1-sulfonamide?
The InChIKey is MALIAFGKNKLRDC-IUCAKERBSA-N. The full InChI is InChI=1S/C9H19FN2O2S/c1-2-3-4-15(13,14)12-7-9-5-8(10)6-11-9/h8-9,11-12H,2-7H2,1H3/t8-,9-/m0/s1.
What are the key properties of N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]butane-1-sulfonamide?
N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]butane-1-sulfonamide has a molecular weight of 238.33 g/mol, XLogP of 0.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]butane-1-sulfonamide is sourced from PubChem (CID 70758179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).