N-[[(2S,4S)-4-fluoro-1-propan-2-ylsulfonylpyrrolidin-2-yl]methyl]pentanamide

C13H25FN2O3S — CID 70717573

IUPACN-[[(2S,4S)-4-fluoro-1-propan-2-ylsulfonylpyrrolidin-2-yl]methyl]pentanamide
SMILESCCCCC(=O)NC[C@@H]1C[C@H](F)CN1S(=O)(=O)C(C)C
InChIInChI=1S/C13H25FN2O3S/c1-4-5-6-13(17)15-8-12-7-11(14)9-16(12)20(18,19)10(2)3/h10-12H,4-9H2,1-3H3,(H,15,17)/t11-,12-/m0/s1
InChIKeyYEFWJOUEDWFYEJ-RYUDHWBXSA-N
MW308.42 g/mol
LogP1.44
Rot. Bonds7

About N-[[(2S,4S)-4-fluoro-1-propan-2-ylsulfonylpyrrolidin-2-yl]methyl]pentanamide

N-[[(2S,4S)-4-fluoro-1-propan-2-ylsulfonylpyrrolidin-2-yl]methyl]pentanamide (PubChem CID 70717573) has the molecular formula C13H25FN2O3S and a molecular weight of 308.42 g/mol. Its IUPAC name is N-[[(2S,4S)-4-fluoro-1-propan-2-ylsulfonylpyrrolidin-2-yl]methyl]pentanamide.

Molecular Properties

Compound NameN-[[(2S,4S)-4-fluoro-1-propan-2-ylsulfonylpyrrolidin-2-yl]methyl]pentanamide
PubChem CID70717573
Molecular FormulaC13H25FN2O3S
Molecular Weight308.42 g/mol
Exact Mass308.16
IUPAC NameN-[[(2S,4S)-4-fluoro-1-propan-2-ylsulfonylpyrrolidin-2-yl]methyl]pentanamide
SMILESCCCCC(=O)NC[C@@H]1C[C@H](F)CN1S(=O)(=O)C(C)C
InChIInChI=1S/C13H25FN2O3S/c1-4-5-6-13(17)15-8-12-7-11(14)9-16(12)20(18,19)10(2)3/h10-12H,4-9H2,1-3H3,(H,15,17)/t11-,12-/m0/s1
InChIKeyYEFWJOUEDWFYEJ-RYUDHWBXSA-N
XLogP1.44
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(4-amino-5-oxo-5-pyrrolidin-1-ylpentyl)-2,2,2-trifluoroethanesulfonamide;hydrochloride
CID 22732195
N-(4-amino-5-oxo-5-pyrrolidin-1-ylpentyl)-2,2,2-trifluoroethanesulfonamide
CID 22732196
N-[(4S)-4-amino-5-oxo-5-pyrrolidin-1-ylpentyl]-2,2,2-trifluoroethanesulfonamide;hydrochloride
CID 69891264
N-[(4S)-4-amino-5-oxo-5-pyrrolidin-1-ylpentyl]-2,2,2-trifluoroethanesulfonamide
CID 69891265
(4R)-4-fluoro-1-[2-(methanesulfonamido)acetyl]pyrrolidine-2-carboxamide
CID 118349047
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4,4,4-trifluoro-N-methylbutanamide
CID 175988361
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-1-propylsulfonylpyrrolidine-2-carboxamide
CID 49073201
1-methylsulfonyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 51075767
(4R)-4-amino-N,N-diethyl-1-[(3,3,3-trifluoropropyl)sulfonyl]-L-prolinamide
CID 56716882
(4S)-4-amino-N,N-diethyl-1-[(3,3,3-trifluoropropyl)sulfonyl]-L-prolinamide
CID 56755579

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4S)-4-fluoro-1-propan-2-ylsulfonylpyrrolidin-2-yl]methyl]pentanamide?
The IUPAC name of N-[[(2S,4S)-4-fluoro-1-propan-2-ylsulfonylpyrrolidin-2-yl]methyl]pentanamide (CID 70717573) is N-[[(2S,4S)-4-fluoro-1-propan-2-ylsulfonylpyrrolidin-2-yl]methyl]pentanamide.
What is the SMILES notation for N-[[(2S,4S)-4-fluoro-1-propan-2-ylsulfonylpyrrolidin-2-yl]methyl]pentanamide?
The canonical SMILES for N-[[(2S,4S)-4-fluoro-1-propan-2-ylsulfonylpyrrolidin-2-yl]methyl]pentanamide is CCCCC(=O)NC[C@@H]1C[C@H](F)CN1S(=O)(=O)C(C)C.
What is the InChIKey of N-[[(2S,4S)-4-fluoro-1-propan-2-ylsulfonylpyrrolidin-2-yl]methyl]pentanamide?
The InChIKey is YEFWJOUEDWFYEJ-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H25FN2O3S/c1-4-5-6-13(17)15-8-12-7-11(14)9-16(12)20(18,19)10(2)3/h10-12H,4-9H2,1-3H3,(H,15,17)/t11-,12-/m0/s1.
What are the key properties of N-[[(2S,4S)-4-fluoro-1-propan-2-ylsulfonylpyrrolidin-2-yl]methyl]pentanamide?
N-[[(2S,4S)-4-fluoro-1-propan-2-ylsulfonylpyrrolidin-2-yl]methyl]pentanamide has a molecular weight of 308.42 g/mol, XLogP of 1.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,4S)-4-fluoro-1-propan-2-ylsulfonylpyrrolidin-2-yl]methyl]pentanamide is sourced from PubChem (CID 70717573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).