[(3R,4R)-4-fluoro-1-(1-methylsulfonylbenzimidazol-2-yl)piperidin-3-yl]carbamic acid

C14H17FN4O4S — CID 155143155

IUPAC[(3R,4R)-4-fluoro-1-(1-methylsulfonylbenzimidazol-2-yl)piperidin-3-yl]carbamic acid
SMILESCS(=O)(=O)n1c(N2CC[C@@H](F)[C@H](NC(=O)O)C2)nc2ccccc21
InChIInChI=1S/C14H17FN4O4S/c1-24(22,23)19-12-5-3-2-4-10(12)16-13(19)18-7-6-9(15)11(8-18)17-14(20)21/h2-5,9,11,17H,6-8H2,1H3,(H,20,21)/t9-,11-/m1/s1
InChIKeyOJWOYHGVEPMTDZ-MWLCHTKSSA-N
MW356.38 g/mol
LogP1.03
Rot. Bonds3

About [(3R,4R)-4-fluoro-1-(1-methylsulfonylbenzimidazol-2-yl)piperidin-3-yl]carbamic acid

[(3R,4R)-4-fluoro-1-(1-methylsulfonylbenzimidazol-2-yl)piperidin-3-yl]carbamic acid (PubChem CID 155143155) has the molecular formula C14H17FN4O4S and a molecular weight of 356.38 g/mol. Its IUPAC name is [(3R,4R)-4-fluoro-1-(1-methylsulfonylbenzimidazol-2-yl)piperidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[(3R,4R)-4-fluoro-1-(1-methylsulfonylbenzimidazol-2-yl)piperidin-3-yl]carbamic acid
PubChem CID155143155
Molecular FormulaC14H17FN4O4S
Molecular Weight356.38 g/mol
Exact Mass356.10
IUPAC Name[(3R,4R)-4-fluoro-1-(1-methylsulfonylbenzimidazol-2-yl)piperidin-3-yl]carbamic acid
SMILESCS(=O)(=O)n1c(N2CC[C@@H](F)[C@H](NC(=O)O)C2)nc2ccccc21
InChIInChI=1S/C14H17FN4O4S/c1-24(22,23)19-12-5-3-2-4-10(12)16-13(19)18-7-6-9(15)11(8-18)17-14(20)21/h2-5,9,11,17H,6-8H2,1H3,(H,20,21)/t9-,11-/m1/s1
InChIKeyOJWOYHGVEPMTDZ-MWLCHTKSSA-N
XLogP1.03
TPSA104.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-4-fluoro-1-(1-methylsulfonylbenzimidazol-2-yl)piperidin-3-yl]carbamic acid?
The IUPAC name of [(3R,4R)-4-fluoro-1-(1-methylsulfonylbenzimidazol-2-yl)piperidin-3-yl]carbamic acid (CID 155143155) is [(3R,4R)-4-fluoro-1-(1-methylsulfonylbenzimidazol-2-yl)piperidin-3-yl]carbamic acid.
What is the SMILES notation for [(3R,4R)-4-fluoro-1-(1-methylsulfonylbenzimidazol-2-yl)piperidin-3-yl]carbamic acid?
The canonical SMILES for [(3R,4R)-4-fluoro-1-(1-methylsulfonylbenzimidazol-2-yl)piperidin-3-yl]carbamic acid is CS(=O)(=O)n1c(N2CC[C@@H](F)[C@H](NC(=O)O)C2)nc2ccccc21.
What is the InChIKey of [(3R,4R)-4-fluoro-1-(1-methylsulfonylbenzimidazol-2-yl)piperidin-3-yl]carbamic acid?
The InChIKey is OJWOYHGVEPMTDZ-MWLCHTKSSA-N. The full InChI is InChI=1S/C14H17FN4O4S/c1-24(22,23)19-12-5-3-2-4-10(12)16-13(19)18-7-6-9(15)11(8-18)17-14(20)21/h2-5,9,11,17H,6-8H2,1H3,(H,20,21)/t9-,11-/m1/s1.
What are the key properties of [(3R,4R)-4-fluoro-1-(1-methylsulfonylbenzimidazol-2-yl)piperidin-3-yl]carbamic acid?
[(3R,4R)-4-fluoro-1-(1-methylsulfonylbenzimidazol-2-yl)piperidin-3-yl]carbamic acid has a molecular weight of 356.38 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-4-fluoro-1-(1-methylsulfonylbenzimidazol-2-yl)piperidin-3-yl]carbamic acid is sourced from PubChem (CID 155143155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).