N-ethyl-1-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-yl]ethanamine

C14H22FN3O2S — CID 103298412

IUPACN-ethyl-1-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-yl]ethanamine
SMILESCCNC(C)C1CCN(S(=O)(=O)c2ncccc2F)CC1
InChIInChI=1S/C14H22FN3O2S/c1-3-16-11(2)12-6-9-18(10-7-12)21(19,20)14-13(15)5-4-8-17-14/h4-5,8,11-12,16H,3,6-7,9-10H2,1-2H3
InChIKeyOOHJSVHNWNCLAC-UHFFFAOYSA-N
MW315.41 g/mol
LogP1.62
Rot. Bonds5

About N-ethyl-1-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-yl]ethanamine

N-ethyl-1-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-yl]ethanamine (PubChem CID 103298412) has the molecular formula C14H22FN3O2S and a molecular weight of 315.41 g/mol. Its IUPAC name is N-ethyl-1-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-yl]ethanamine
PubChem CID103298412
Molecular FormulaC14H22FN3O2S
Molecular Weight315.41 g/mol
Exact Mass315.14
IUPAC NameN-ethyl-1-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-yl]ethanamine
SMILESCCNC(C)C1CCN(S(=O)(=O)c2ncccc2F)CC1
InChIInChI=1S/C14H22FN3O2S/c1-3-16-11(2)12-6-9-18(10-7-12)21(19,20)14-13(15)5-4-8-17-14/h4-5,8,11-12,16H,3,6-7,9-10H2,1-2H3
InChIKeyOOHJSVHNWNCLAC-UHFFFAOYSA-N
XLogP1.62
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-yl]ethanamine?
The IUPAC name of N-ethyl-1-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-yl]ethanamine (CID 103298412) is N-ethyl-1-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-yl]ethanamine is CCNC(C)C1CCN(S(=O)(=O)c2ncccc2F)CC1.
What is the InChIKey of N-ethyl-1-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-yl]ethanamine?
The InChIKey is OOHJSVHNWNCLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O2S/c1-3-16-11(2)12-6-9-18(10-7-12)21(19,20)14-13(15)5-4-8-17-14/h4-5,8,11-12,16H,3,6-7,9-10H2,1-2H3.
What are the key properties of N-ethyl-1-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-yl]ethanamine?
N-ethyl-1-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-yl]ethanamine has a molecular weight of 315.41 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-yl]ethanamine is sourced from PubChem (CID 103298412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).