N-[[(3S)-1-(5-fluoro-2-pyridinyl)-3-hydroxypyrrolidin-3-yl]methyl]-1-methylimidazole-4-sulfonamide

C14H18FN5O3S — CID 124997223

IUPACN-[[(3S)-1-(5-fluoro-2-pyridinyl)-3-hydroxypyrrolidin-3-yl]methyl]-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NC[C@]2(O)CCN(c3ccc(F)cn3)C2)c1
InChIInChI=1S/C14H18FN5O3S/c1-19-7-13(17-10-19)24(22,23)18-8-14(21)4-5-20(9-14)12-3-2-11(15)6-16-12/h2-3,6-7,10,18,21H,4-5,8-9H2,1H3/t14-/m1/s1
InChIKeyQYOVPMJHNFAPFP-CQSZACIVSA-N
MW355.40 g/mol
LogP-0.13
Rot. Bonds5

About N-[[(3S)-1-(5-fluoro-2-pyridinyl)-3-hydroxypyrrolidin-3-yl]methyl]-1-methylimidazole-4-sulfonamide

N-[[(3S)-1-(5-fluoro-2-pyridinyl)-3-hydroxypyrrolidin-3-yl]methyl]-1-methylimidazole-4-sulfonamide (PubChem CID 124997223) has the molecular formula C14H18FN5O3S and a molecular weight of 355.40 g/mol. Its IUPAC name is N-[[(3S)-1-(5-fluoro-2-pyridinyl)-3-hydroxypyrrolidin-3-yl]methyl]-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[[(3S)-1-(5-fluoro-2-pyridinyl)-3-hydroxypyrrolidin-3-yl]methyl]-1-methylimidazole-4-sulfonamide
PubChem CID124997223
Molecular FormulaC14H18FN5O3S
Molecular Weight355.40 g/mol
Exact Mass355.11
IUPAC NameN-[[(3S)-1-(5-fluoro-2-pyridinyl)-3-hydroxypyrrolidin-3-yl]methyl]-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NC[C@]2(O)CCN(c3ccc(F)cn3)C2)c1
InChIInChI=1S/C14H18FN5O3S/c1-19-7-13(17-10-19)24(22,23)18-8-14(21)4-5-20(9-14)12-3-2-11(15)6-16-12/h2-3,6-7,10,18,21H,4-5,8-9H2,1H3/t14-/m1/s1
InChIKeyQYOVPMJHNFAPFP-CQSZACIVSA-N
XLogP-0.13
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[[(3S)-1-(5-fluoro-2-pyridinyl)-3-hydroxypyrrolidin-3-yl]methyl]-1-methylimidazole-4-sulfonamide with MolForge

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Related Compounds

N-[[(3S)-1-(5-fluoro-2-pyridinyl)-3-hydroxypyrrolidin-3-yl]methyl]methanesulfonamide
CID 125024514
1-(5-fluoro-2-pyridinyl)-3-(methylaminomethyl)pyrrolidin-3-ol
CID 175660744
N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypyrrolidin-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 110124285
1-ethyl-N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]pyrazole-4-carboxamide
CID 124999832
N-[[(3S)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]cyclohexanecarboxamide
CID 124983310
2-(2-ethylimidazol-1-yl)-N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypyrrolidin-3-yl]methyl]acetamide
CID 110124292
N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 110124157
N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-5-methylpyrazine-2-carboxamide
CID 124991641
N-[[1-(2-bromoethyl)cyclopropyl]methyl]-1-methylimidazole-4-sulfonamide
CID 114758687
5-ethyl-N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
CID 125010520
N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-3-(2-methylbenzimidazol-1-yl)propanamide
CID 155989847
1-(5-fluoro-2-pyridinyl)-3-[[[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylamino]methyl]pyrrolidin-3-ol
CID 132779731

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-(5-fluoro-2-pyridinyl)-3-hydroxypyrrolidin-3-yl]methyl]-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-[[(3S)-1-(5-fluoro-2-pyridinyl)-3-hydroxypyrrolidin-3-yl]methyl]-1-methylimidazole-4-sulfonamide (CID 124997223) is N-[[(3S)-1-(5-fluoro-2-pyridinyl)-3-hydroxypyrrolidin-3-yl]methyl]-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-[[(3S)-1-(5-fluoro-2-pyridinyl)-3-hydroxypyrrolidin-3-yl]methyl]-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-[[(3S)-1-(5-fluoro-2-pyridinyl)-3-hydroxypyrrolidin-3-yl]methyl]-1-methylimidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)NC[C@]2(O)CCN(c3ccc(F)cn3)C2)c1.
What is the InChIKey of N-[[(3S)-1-(5-fluoro-2-pyridinyl)-3-hydroxypyrrolidin-3-yl]methyl]-1-methylimidazole-4-sulfonamide?
The InChIKey is QYOVPMJHNFAPFP-CQSZACIVSA-N. The full InChI is InChI=1S/C14H18FN5O3S/c1-19-7-13(17-10-19)24(22,23)18-8-14(21)4-5-20(9-14)12-3-2-11(15)6-16-12/h2-3,6-7,10,18,21H,4-5,8-9H2,1H3/t14-/m1/s1.
What are the key properties of N-[[(3S)-1-(5-fluoro-2-pyridinyl)-3-hydroxypyrrolidin-3-yl]methyl]-1-methylimidazole-4-sulfonamide?
N-[[(3S)-1-(5-fluoro-2-pyridinyl)-3-hydroxypyrrolidin-3-yl]methyl]-1-methylimidazole-4-sulfonamide has a molecular weight of 355.40 g/mol, XLogP of -0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-(5-fluoro-2-pyridinyl)-3-hydroxypyrrolidin-3-yl]methyl]-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 124997223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).