N-(2,2-difluoroethyl)-1-methylsulfonyl-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine

C12H19F2N3O2S2 — CID 131961669

IUPACN-(2,2-difluoroethyl)-1-methylsulfonyl-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine
SMILESCS(=O)(=O)N1CCC(N(Cc2nccs2)CC(F)F)CC1
InChIInChI=1S/C12H19F2N3O2S2/c1-21(18,19)17-5-2-10(3-6-17)16(8-11(13)14)9-12-15-4-7-20-12/h4,7,10-11H,2-3,5-6,8-9H2,1H3
InChIKeyMDFMQYTVACUGBS-UHFFFAOYSA-N
MW339.43 g/mol
LogP1.63
Rot. Bonds6

About N-(2,2-difluoroethyl)-1-methylsulfonyl-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine

N-(2,2-difluoroethyl)-1-methylsulfonyl-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine (PubChem CID 131961669) has the molecular formula C12H19F2N3O2S2 and a molecular weight of 339.43 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-1-methylsulfonyl-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-1-methylsulfonyl-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine
PubChem CID131961669
Molecular FormulaC12H19F2N3O2S2
Molecular Weight339.43 g/mol
Exact Mass339.09
IUPAC NameN-(2,2-difluoroethyl)-1-methylsulfonyl-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine
SMILESCS(=O)(=O)N1CCC(N(Cc2nccs2)CC(F)F)CC1
InChIInChI=1S/C12H19F2N3O2S2/c1-21(18,19)17-5-2-10(3-6-17)16(8-11(13)14)9-12-15-4-7-20-12/h4,7,10-11H,2-3,5-6,8-9H2,1H3
InChIKeyMDFMQYTVACUGBS-UHFFFAOYSA-N
XLogP1.63
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.43
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-1-methylsulfonyl-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine?
The IUPAC name of N-(2,2-difluoroethyl)-1-methylsulfonyl-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine (CID 131961669) is N-(2,2-difluoroethyl)-1-methylsulfonyl-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-1-methylsulfonyl-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-1-methylsulfonyl-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine is CS(=O)(=O)N1CCC(N(Cc2nccs2)CC(F)F)CC1.
What is the InChIKey of N-(2,2-difluoroethyl)-1-methylsulfonyl-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine?
The InChIKey is MDFMQYTVACUGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2N3O2S2/c1-21(18,19)17-5-2-10(3-6-17)16(8-11(13)14)9-12-15-4-7-20-12/h4,7,10-11H,2-3,5-6,8-9H2,1H3.
What are the key properties of N-(2,2-difluoroethyl)-1-methylsulfonyl-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine?
N-(2,2-difluoroethyl)-1-methylsulfonyl-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine has a molecular weight of 339.43 g/mol, XLogP of 1.63, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-1-methylsulfonyl-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 131961669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).