1-[(3-fluoro-2-pyridinyl)sulfonyl]-N,N-dimethylpiperidine-4-carboxamide

C13H18FN3O3S — CID 103299708

IUPAC1-[(3-fluoro-2-pyridinyl)sulfonyl]-N,N-dimethylpiperidine-4-carboxamide
SMILESCN(C)C(=O)C1CCN(S(=O)(=O)c2ncccc2F)CC1
InChIInChI=1S/C13H18FN3O3S/c1-16(2)13(18)10-5-8-17(9-6-10)21(19,20)12-11(14)4-3-7-15-12/h3-4,7,10H,5-6,8-9H2,1-2H3
InChIKeyTXYNSUSRSOSCBS-UHFFFAOYSA-N
MW315.37 g/mol
LogP0.71
Rot. Bonds3

About 1-[(3-fluoro-2-pyridinyl)sulfonyl]-N,N-dimethylpiperidine-4-carboxamide

1-[(3-fluoro-2-pyridinyl)sulfonyl]-N,N-dimethylpiperidine-4-carboxamide (PubChem CID 103299708) has the molecular formula C13H18FN3O3S and a molecular weight of 315.37 g/mol. Its IUPAC name is 1-[(3-fluoro-2-pyridinyl)sulfonyl]-N,N-dimethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(3-fluoro-2-pyridinyl)sulfonyl]-N,N-dimethylpiperidine-4-carboxamide
PubChem CID103299708
Molecular FormulaC13H18FN3O3S
Molecular Weight315.37 g/mol
Exact Mass315.11
IUPAC Name1-[(3-fluoro-2-pyridinyl)sulfonyl]-N,N-dimethylpiperidine-4-carboxamide
SMILESCN(C)C(=O)C1CCN(S(=O)(=O)c2ncccc2F)CC1
InChIInChI=1S/C13H18FN3O3S/c1-16(2)13(18)10-5-8-17(9-6-10)21(19,20)12-11(14)4-3-7-15-12/h3-4,7,10H,5-6,8-9H2,1-2H3
InChIKeyTXYNSUSRSOSCBS-UHFFFAOYSA-N
XLogP0.71
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-yl]acetic acid
CID 103298867
1-[(3-fluoro-2-pyridinyl)sulfonyl]azocane
CID 103299166
3-fluoro-2-(3-methylpyrrolidin-1-yl)sulfonylpyridine
CID 103299830
2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-yl]-N-methylethanamine
CID 103302531
1-[4-[(3-fluoro-2-pyridinyl)sulfonyl]-1,4-diazepan-1-yl]ethanone
CID 103299923
2-(3-tert-butylpyrrolidin-1-yl)sulfonyl-3-fluoropyridine
CID 103300413
N-ethyl-1-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-yl]ethanamine
CID 103298412
3-ethyl-1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-amine
CID 103298431
2-[4-[(3-fluoro-2-pyridinyl)sulfonyl]piperazin-1-yl]-N-methylacetamide
CID 103299364
2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]azetidin-3-yl]acetic acid
CID 103298824
1-(2-fluorophenyl)sulfonyl-N-methyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 78770763
[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-3-yl]methanol
CID 103299267

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluoro-2-pyridinyl)sulfonyl]-N,N-dimethylpiperidine-4-carboxamide?
The IUPAC name of 1-[(3-fluoro-2-pyridinyl)sulfonyl]-N,N-dimethylpiperidine-4-carboxamide (CID 103299708) is 1-[(3-fluoro-2-pyridinyl)sulfonyl]-N,N-dimethylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[(3-fluoro-2-pyridinyl)sulfonyl]-N,N-dimethylpiperidine-4-carboxamide?
The canonical SMILES for 1-[(3-fluoro-2-pyridinyl)sulfonyl]-N,N-dimethylpiperidine-4-carboxamide is CN(C)C(=O)C1CCN(S(=O)(=O)c2ncccc2F)CC1.
What is the InChIKey of 1-[(3-fluoro-2-pyridinyl)sulfonyl]-N,N-dimethylpiperidine-4-carboxamide?
The InChIKey is TXYNSUSRSOSCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O3S/c1-16(2)13(18)10-5-8-17(9-6-10)21(19,20)12-11(14)4-3-7-15-12/h3-4,7,10H,5-6,8-9H2,1-2H3.
What are the key properties of 1-[(3-fluoro-2-pyridinyl)sulfonyl]-N,N-dimethylpiperidine-4-carboxamide?
1-[(3-fluoro-2-pyridinyl)sulfonyl]-N,N-dimethylpiperidine-4-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 0.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluoro-2-pyridinyl)sulfonyl]-N,N-dimethylpiperidine-4-carboxamide is sourced from PubChem (CID 103299708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).