2-(methylamino)-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]butanamide

C11H14F3N3OS — CID 63035550

IUPAC2-(methylamino)-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]butanamide
SMILESCNC(CCSc1ccc(C(F)(F)F)cn1)C(N)=O
InChIInChI=1S/C11H14F3N3OS/c1-16-8(10(15)18)4-5-19-9-3-2-7(6-17-9)11(12,13)14/h2-3,6,8,16H,4-5H2,1H3,(H2,15,18)
InChIKeyNEOFTVISPZPZOR-UHFFFAOYSA-N
MW293.31 g/mol
LogP1.66
Rot. Bonds6

About 2-(methylamino)-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]butanamide

2-(methylamino)-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]butanamide (PubChem CID 63035550) has the molecular formula C11H14F3N3OS and a molecular weight of 293.31 g/mol. Its IUPAC name is 2-(methylamino)-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]butanamide.

Molecular Properties

Compound Name2-(methylamino)-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]butanamide
PubChem CID63035550
Molecular FormulaC11H14F3N3OS
Molecular Weight293.31 g/mol
Exact Mass293.08
IUPAC Name2-(methylamino)-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]butanamide
SMILESCNC(CCSc1ccc(C(F)(F)F)cn1)C(N)=O
InChIInChI=1S/C11H14F3N3OS/c1-16-8(10(15)18)4-5-19-9-3-2-7(6-17-9)11(12,13)14/h2-3,6,8,16H,4-5H2,1H3,(H2,15,18)
InChIKeyNEOFTVISPZPZOR-UHFFFAOYSA-N
XLogP1.66
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylamino)-4-pyrimidin-4-ylsulfanylbutanamide
CID 63696076
2,2-dimethyl-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]butanoic acid
CID 65253161
4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]butanehydrazide
CID 55212515
2-(methylamino)-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-ol
CID 64806386
2,2-dimethyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanoic acid
CID 79629137
3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pentanoic acid
CID 55180135
2-methyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]propan-1-amine
CID 55092132
tert-butyl 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetate
CID 47134968
2-(cyclopropylamino)-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]butan-1-ol
CID 64805558
3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanal
CID 14347987
N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]ethanesulfonamide
CID 56785090
2-(methylamino)-4-(4-methylpyrimidin-2-yl)sulfanylbutanamide
CID 63034714

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]butanamide?
The IUPAC name of 2-(methylamino)-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]butanamide (CID 63035550) is 2-(methylamino)-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]butanamide.
What is the SMILES notation for 2-(methylamino)-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]butanamide?
The canonical SMILES for 2-(methylamino)-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]butanamide is CNC(CCSc1ccc(C(F)(F)F)cn1)C(N)=O.
What is the InChIKey of 2-(methylamino)-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]butanamide?
The InChIKey is NEOFTVISPZPZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3OS/c1-16-8(10(15)18)4-5-19-9-3-2-7(6-17-9)11(12,13)14/h2-3,6,8,16H,4-5H2,1H3,(H2,15,18).
What are the key properties of 2-(methylamino)-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]butanamide?
2-(methylamino)-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]butanamide has a molecular weight of 293.31 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]butanamide is sourced from PubChem (CID 63035550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).