N-[(3,3-difluorocyclohexyl)methyl]-1-methylsulfonylpropan-2-amine

C11H21F2NO2S — CID 114223840

IUPACN-[(3,3-difluorocyclohexyl)methyl]-1-methylsulfonylpropan-2-amine
SMILESCC(CS(C)(=O)=O)NCC1CCCC(F)(F)C1
InChIInChI=1S/C11H21F2NO2S/c1-9(8-17(2,15)16)14-7-10-4-3-5-11(12,13)6-10/h9-10,14H,3-8H2,1-2H3
InChIKeyHTYMJEATNSZONB-UHFFFAOYSA-N
MW269.36 g/mol
LogP1.83
Rot. Bonds5

About N-[(3,3-difluorocyclohexyl)methyl]-1-methylsulfonylpropan-2-amine

N-[(3,3-difluorocyclohexyl)methyl]-1-methylsulfonylpropan-2-amine (PubChem CID 114223840) has the molecular formula C11H21F2NO2S and a molecular weight of 269.36 g/mol. Its IUPAC name is N-[(3,3-difluorocyclohexyl)methyl]-1-methylsulfonylpropan-2-amine.

Molecular Properties

Compound NameN-[(3,3-difluorocyclohexyl)methyl]-1-methylsulfonylpropan-2-amine
PubChem CID114223840
Molecular FormulaC11H21F2NO2S
Molecular Weight269.36 g/mol
Exact Mass269.13
IUPAC NameN-[(3,3-difluorocyclohexyl)methyl]-1-methylsulfonylpropan-2-amine
SMILESCC(CS(C)(=O)=O)NCC1CCCC(F)(F)C1
InChIInChI=1S/C11H21F2NO2S/c1-9(8-17(2,15)16)14-7-10-4-3-5-11(12,13)6-10/h9-10,14H,3-8H2,1-2H3
InChIKeyHTYMJEATNSZONB-UHFFFAOYSA-N
XLogP1.83
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3,3-difluorocyclohexyl)methyl]-1-methylsulfonylpropan-2-amine?
The IUPAC name of N-[(3,3-difluorocyclohexyl)methyl]-1-methylsulfonylpropan-2-amine (CID 114223840) is N-[(3,3-difluorocyclohexyl)methyl]-1-methylsulfonylpropan-2-amine.
What is the SMILES notation for N-[(3,3-difluorocyclohexyl)methyl]-1-methylsulfonylpropan-2-amine?
The canonical SMILES for N-[(3,3-difluorocyclohexyl)methyl]-1-methylsulfonylpropan-2-amine is CC(CS(C)(=O)=O)NCC1CCCC(F)(F)C1.
What is the InChIKey of N-[(3,3-difluorocyclohexyl)methyl]-1-methylsulfonylpropan-2-amine?
The InChIKey is HTYMJEATNSZONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2NO2S/c1-9(8-17(2,15)16)14-7-10-4-3-5-11(12,13)6-10/h9-10,14H,3-8H2,1-2H3.
What are the key properties of N-[(3,3-difluorocyclohexyl)methyl]-1-methylsulfonylpropan-2-amine?
N-[(3,3-difluorocyclohexyl)methyl]-1-methylsulfonylpropan-2-amine has a molecular weight of 269.36 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,3-difluorocyclohexyl)methyl]-1-methylsulfonylpropan-2-amine is sourced from PubChem (CID 114223840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).