N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methylsulfonylpropan-2-amine

C9H15F2N3O2S — CID 64631832

IUPACN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methylsulfonylpropan-2-amine
SMILESCC(CS(C)(=O)=O)NCc1nccn1C(F)F
InChIInChI=1S/C9H15F2N3O2S/c1-7(6-17(2,15)16)13-5-8-12-3-4-14(8)9(10)11/h3-4,7,9,13H,5-6H2,1-2H3
InChIKeyYPIVWNHDCVYTKQ-UHFFFAOYSA-N
MW267.30 g/mol
LogP0.80
Rot. Bonds6

About N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methylsulfonylpropan-2-amine

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methylsulfonylpropan-2-amine (PubChem CID 64631832) has the molecular formula C9H15F2N3O2S and a molecular weight of 267.30 g/mol. Its IUPAC name is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methylsulfonylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methylsulfonylpropan-2-amine
PubChem CID64631832
Molecular FormulaC9H15F2N3O2S
Molecular Weight267.30 g/mol
Exact Mass267.09
IUPAC NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methylsulfonylpropan-2-amine
SMILESCC(CS(C)(=O)=O)NCc1nccn1C(F)F
InChIInChI=1S/C9H15F2N3O2S/c1-7(6-17(2,15)16)13-5-8-12-3-4-14(8)9(10)11/h3-4,7,9,13H,5-6H2,1-2H3
InChIKeyYPIVWNHDCVYTKQ-UHFFFAOYSA-N
XLogP0.80
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methylsulfonylpropan-2-amine?
The IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methylsulfonylpropan-2-amine (CID 64631832) is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methylsulfonylpropan-2-amine.
What is the SMILES notation for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methylsulfonylpropan-2-amine?
The canonical SMILES for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methylsulfonylpropan-2-amine is CC(CS(C)(=O)=O)NCc1nccn1C(F)F.
What is the InChIKey of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methylsulfonylpropan-2-amine?
The InChIKey is YPIVWNHDCVYTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N3O2S/c1-7(6-17(2,15)16)13-5-8-12-3-4-14(8)9(10)11/h3-4,7,9,13H,5-6H2,1-2H3.
What are the key properties of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methylsulfonylpropan-2-amine?
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methylsulfonylpropan-2-amine has a molecular weight of 267.30 g/mol, XLogP of 0.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methylsulfonylpropan-2-amine is sourced from PubChem (CID 64631832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).