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

C10H10ClF3N2O2S — CID 28548311

IUPAC3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-5-(trifluoromethyl)pyridin-2-amine
SMILESO=S1(=O)CC[C@H](Nc2ncc(C(F)(F)F)cc2Cl)C1
InChIInChI=1S/C10H10ClF3N2O2S/c11-8-3-6(10(12,13)14)4-15-9(8)16-7-1-2-19(17,18)5-7/h3-4,7H,1-2,5H2,(H,15,16)/t7-/m0/s1
InChIKeyVNHSRACBMIAAMH-ZETCQYMHSA-N
MW314.72 g/mol
LogP2.35
Rot. Bonds2

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

3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 28548311) has the molecular formula C10H10ClF3N2O2S and a molecular weight of 314.72 g/mol. Its IUPAC name is 3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID28548311
Molecular FormulaC10H10ClF3N2O2S
Molecular Weight314.72 g/mol
Exact Mass314.01
IUPAC Name3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-5-(trifluoromethyl)pyridin-2-amine
SMILESO=S1(=O)CC[C@H](Nc2ncc(C(F)(F)F)cc2Cl)C1
InChIInChI=1S/C10H10ClF3N2O2S/c11-8-3-6(10(12,13)14)4-15-9(8)16-7-1-2-19(17,18)5-7/h3-4,7H,1-2,5H2,(H,15,16)/t7-/m0/s1
InChIKeyVNHSRACBMIAAMH-ZETCQYMHSA-N
XLogP2.35
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.72
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-3-chloro-N-(1,1-dioxothiolan-3-yl)pyridin-2-amine
CID 103579980
3-chloro-N-(1-oxothian-4-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 115886614
3-chloro-N-(3-methylcyclobutyl)-5-(trifluoromethyl)pyridin-2-amine
CID 113248032
4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-cyclopropylpyrrolidin-2-one
CID 133357415
3-chloro-N-(1,4-dioxaspiro[4.5]decan-8-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 47054431
3-chloro-N-(1,1-dioxothian-3-yl)-5-nitropyridin-2-amine
CID 75374172
3-chloro-N-(2-methylcyclohexyl)-5-(trifluoromethyl)pyridin-2-amine
CID 43081784
cis-(1S,2R)-2-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclohexane-1,2-diamine
CID 93453945
1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-3-(1,1-dioxothiolan-3-yl)-2-methylguanidine
CID 111772370
3-chloro-N-(dicyclopropylmethyl)-5-(trifluoromethyl)pyridin-2-amine
CID 60712371
(3R)-1,1-dioxo-N-[3-(trifluoromethyl)phenyl]thiolan-3-amine
CID 7116118
3-chloro-N-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine
CID 133311648

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-5-(trifluoromethyl)pyridin-2-amine (CID 28548311) is 3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-5-(trifluoromethyl)pyridin-2-amine is O=S1(=O)CC[C@H](Nc2ncc(C(F)(F)F)cc2Cl)C1.
What is the InChIKey of 3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is VNHSRACBMIAAMH-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H10ClF3N2O2S/c11-8-3-6(10(12,13)14)4-15-9(8)16-7-1-2-19(17,18)5-7/h3-4,7H,1-2,5H2,(H,15,16)/t7-/m0/s1.
What are the key properties of 3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-5-(trifluoromethyl)pyridin-2-amine?
3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 314.72 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 28548311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).