N-[(4-cyclopropylpiperidin-4-yl)methyl]-1,1,1-trifluoromethanesulfonamide

C10H17F3N2O2S — CID 21037036

IUPACN-[(4-cyclopropylpiperidin-4-yl)methyl]-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(NCC1(C2CC2)CCNCC1)C(F)(F)F
InChIInChI=1S/C10H17F3N2O2S/c11-10(12,13)18(16,17)15-7-9(8-1-2-8)3-5-14-6-4-9/h8,14-15H,1-7H2
InChIKeyRHBBMKXNDNZEAT-UHFFFAOYSA-N
MW286.32 g/mol
LogP1.21
Rot. Bonds4

About N-[(4-cyclopropylpiperidin-4-yl)methyl]-1,1,1-trifluoromethanesulfonamide

N-[(4-cyclopropylpiperidin-4-yl)methyl]-1,1,1-trifluoromethanesulfonamide (PubChem CID 21037036) has the molecular formula C10H17F3N2O2S and a molecular weight of 286.32 g/mol. Its IUPAC name is N-[(4-cyclopropylpiperidin-4-yl)methyl]-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-[(4-cyclopropylpiperidin-4-yl)methyl]-1,1,1-trifluoromethanesulfonamide
PubChem CID21037036
Molecular FormulaC10H17F3N2O2S
Molecular Weight286.32 g/mol
Exact Mass286.10
IUPAC NameN-[(4-cyclopropylpiperidin-4-yl)methyl]-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(NCC1(C2CC2)CCNCC1)C(F)(F)F
InChIInChI=1S/C10H17F3N2O2S/c11-10(12,13)18(16,17)15-7-9(8-1-2-8)3-5-14-6-4-9/h8,14-15H,1-7H2
InChIKeyRHBBMKXNDNZEAT-UHFFFAOYSA-N
XLogP1.21
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclopropylpiperidin-4-yl)methyl]-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-[(4-cyclopropylpiperidin-4-yl)methyl]-1,1,1-trifluoromethanesulfonamide (CID 21037036) is N-[(4-cyclopropylpiperidin-4-yl)methyl]-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-[(4-cyclopropylpiperidin-4-yl)methyl]-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-[(4-cyclopropylpiperidin-4-yl)methyl]-1,1,1-trifluoromethanesulfonamide is O=S(=O)(NCC1(C2CC2)CCNCC1)C(F)(F)F.
What is the InChIKey of N-[(4-cyclopropylpiperidin-4-yl)methyl]-1,1,1-trifluoromethanesulfonamide?
The InChIKey is RHBBMKXNDNZEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2S/c11-10(12,13)18(16,17)15-7-9(8-1-2-8)3-5-14-6-4-9/h8,14-15H,1-7H2.
What are the key properties of N-[(4-cyclopropylpiperidin-4-yl)methyl]-1,1,1-trifluoromethanesulfonamide?
N-[(4-cyclopropylpiperidin-4-yl)methyl]-1,1,1-trifluoromethanesulfonamide has a molecular weight of 286.32 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclopropylpiperidin-4-yl)methyl]-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 21037036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).