6-(cyclopentylmethoxy)-N-[1-(trifluoromethylsulfonyl)piperidin-4-yl]pyrazin-2-amine

C16H23F3N4O3S — CID 133490995

IUPAC6-(cyclopentylmethoxy)-N-[1-(trifluoromethylsulfonyl)piperidin-4-yl]pyrazin-2-amine
SMILESO=S(=O)(N1CCC(Nc2cncc(OCC3CCCC3)n2)CC1)C(F)(F)F
InChIInChI=1S/C16H23F3N4O3S/c17-16(18,19)27(24,25)23-7-5-13(6-8-23)21-14-9-20-10-15(22-14)26-11-12-3-1-2-4-12/h9-10,12-13H,1-8,11H2,(H,21,22)
InChIKeyHPDXNMXBNHAYLV-UHFFFAOYSA-N
MW408.45 g/mol
LogP2.77
Rot. Bonds6

About 6-(cyclopentylmethoxy)-N-[1-(trifluoromethylsulfonyl)piperidin-4-yl]pyrazin-2-amine

6-(cyclopentylmethoxy)-N-[1-(trifluoromethylsulfonyl)piperidin-4-yl]pyrazin-2-amine (PubChem CID 133490995) has the molecular formula C16H23F3N4O3S and a molecular weight of 408.45 g/mol. Its IUPAC name is 6-(cyclopentylmethoxy)-N-[1-(trifluoromethylsulfonyl)piperidin-4-yl]pyrazin-2-amine.

Molecular Properties

Compound Name6-(cyclopentylmethoxy)-N-[1-(trifluoromethylsulfonyl)piperidin-4-yl]pyrazin-2-amine
PubChem CID133490995
Molecular FormulaC16H23F3N4O3S
Molecular Weight408.45 g/mol
Exact Mass408.14
IUPAC Name6-(cyclopentylmethoxy)-N-[1-(trifluoromethylsulfonyl)piperidin-4-yl]pyrazin-2-amine
SMILESO=S(=O)(N1CCC(Nc2cncc(OCC3CCCC3)n2)CC1)C(F)(F)F
InChIInChI=1S/C16H23F3N4O3S/c17-16(18,19)27(24,25)23-7-5-13(6-8-23)21-14-9-20-10-15(22-14)26-11-12-3-1-2-4-12/h9-10,12-13H,1-8,11H2,(H,21,22)
InChIKeyHPDXNMXBNHAYLV-UHFFFAOYSA-N
XLogP2.77
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopentylmethoxy)-N-[1-(trifluoromethylsulfonyl)piperidin-4-yl]pyrazin-2-amine?
The IUPAC name of 6-(cyclopentylmethoxy)-N-[1-(trifluoromethylsulfonyl)piperidin-4-yl]pyrazin-2-amine (CID 133490995) is 6-(cyclopentylmethoxy)-N-[1-(trifluoromethylsulfonyl)piperidin-4-yl]pyrazin-2-amine.
What is the SMILES notation for 6-(cyclopentylmethoxy)-N-[1-(trifluoromethylsulfonyl)piperidin-4-yl]pyrazin-2-amine?
The canonical SMILES for 6-(cyclopentylmethoxy)-N-[1-(trifluoromethylsulfonyl)piperidin-4-yl]pyrazin-2-amine is O=S(=O)(N1CCC(Nc2cncc(OCC3CCCC3)n2)CC1)C(F)(F)F.
What is the InChIKey of 6-(cyclopentylmethoxy)-N-[1-(trifluoromethylsulfonyl)piperidin-4-yl]pyrazin-2-amine?
The InChIKey is HPDXNMXBNHAYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N4O3S/c17-16(18,19)27(24,25)23-7-5-13(6-8-23)21-14-9-20-10-15(22-14)26-11-12-3-1-2-4-12/h9-10,12-13H,1-8,11H2,(H,21,22).
What are the key properties of 6-(cyclopentylmethoxy)-N-[1-(trifluoromethylsulfonyl)piperidin-4-yl]pyrazin-2-amine?
6-(cyclopentylmethoxy)-N-[1-(trifluoromethylsulfonyl)piperidin-4-yl]pyrazin-2-amine has a molecular weight of 408.45 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopentylmethoxy)-N-[1-(trifluoromethylsulfonyl)piperidin-4-yl]pyrazin-2-amine is sourced from PubChem (CID 133490995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).