3-chloro-N-methyl-N-[(2S)-1-methylsulfonylpropan-2-yl]-5-(trifluoromethyl)pyridin-2-amine

C11H14ClF3N2O2S — CID 95345894

IUPAC3-chloro-N-methyl-N-[(2S)-1-methylsulfonylpropan-2-yl]-5-(trifluoromethyl)pyridin-2-amine
SMILESC[C@@H](CS(C)(=O)=O)N(C)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C11H14ClF3N2O2S/c1-7(6-20(3,18)19)17(2)10-9(12)4-8(5-16-10)11(13,14)15/h4-5,7H,6H2,1-3H3/t7-/m0/s1
InChIKeyOPBPGBYXZDWCHF-ZETCQYMHSA-N
MW330.76 g/mol
LogP2.62
Rot. Bonds4

About 3-chloro-N-methyl-N-[(2S)-1-methylsulfonylpropan-2-yl]-5-(trifluoromethyl)pyridin-2-amine

3-chloro-N-methyl-N-[(2S)-1-methylsulfonylpropan-2-yl]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 95345894) has the molecular formula C11H14ClF3N2O2S and a molecular weight of 330.76 g/mol. Its IUPAC name is 3-chloro-N-methyl-N-[(2S)-1-methylsulfonylpropan-2-yl]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-methyl-N-[(2S)-1-methylsulfonylpropan-2-yl]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID95345894
Molecular FormulaC11H14ClF3N2O2S
Molecular Weight330.76 g/mol
Exact Mass330.04
IUPAC Name3-chloro-N-methyl-N-[(2S)-1-methylsulfonylpropan-2-yl]-5-(trifluoromethyl)pyridin-2-amine
SMILESC[C@@H](CS(C)(=O)=O)N(C)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C11H14ClF3N2O2S/c1-7(6-20(3,18)19)17(2)10-9(12)4-8(5-16-10)11(13,14)15/h4-5,7H,6H2,1-3H3/t7-/m0/s1
InChIKeyOPBPGBYXZDWCHF-ZETCQYMHSA-N
XLogP2.62
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.76
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N,N-dimethyl-5-(trifluoromethyl)pyridin-2-amine
CID 14933767
1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]propan-2-ol
CID 55037938
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-propan-2-ylamino]acetic acid
CID 60829528
N-(2-bromoethyl)-3-chloro-N-propan-2-yl-5-(trifluoromethyl)pyridin-2-amine
CID 80670303
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-cyclopropyl-N-methylethane-1,2-diamine
CID 116653233
3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-ethylamino]butanoic acid
CID 62825663
3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-ethylamino]-2-methylpropanoic acid
CID 62852767
1-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-N,4-dimethylpentane-1,3-diamine
CID 115318124
3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-ethylamino]propanenitrile
CID 54992825
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-N-ethylacetamide
CID 47256308
ethyl N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-ethylamino]acetyl]carbamate
CID 9113385
4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-N-methylcyclohexane-1,4-diamine
CID 79115291

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methyl-N-[(2S)-1-methylsulfonylpropan-2-yl]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 3-chloro-N-methyl-N-[(2S)-1-methylsulfonylpropan-2-yl]-5-(trifluoromethyl)pyridin-2-amine (CID 95345894) is 3-chloro-N-methyl-N-[(2S)-1-methylsulfonylpropan-2-yl]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-methyl-N-[(2S)-1-methylsulfonylpropan-2-yl]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 3-chloro-N-methyl-N-[(2S)-1-methylsulfonylpropan-2-yl]-5-(trifluoromethyl)pyridin-2-amine is C[C@@H](CS(C)(=O)=O)N(C)c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 3-chloro-N-methyl-N-[(2S)-1-methylsulfonylpropan-2-yl]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is OPBPGBYXZDWCHF-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H14ClF3N2O2S/c1-7(6-20(3,18)19)17(2)10-9(12)4-8(5-16-10)11(13,14)15/h4-5,7H,6H2,1-3H3/t7-/m0/s1.
What are the key properties of 3-chloro-N-methyl-N-[(2S)-1-methylsulfonylpropan-2-yl]-5-(trifluoromethyl)pyridin-2-amine?
3-chloro-N-methyl-N-[(2S)-1-methylsulfonylpropan-2-yl]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 330.76 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methyl-N-[(2S)-1-methylsulfonylpropan-2-yl]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 95345894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).