6-[[(3R)-3-(trifluoromethylsulfonyl)pyrrolidin-1-yl]methyl]pyridin-2-amine

C11H14F3N3O2S — CID 90305518

IUPAC6-[[(3R)-3-(trifluoromethylsulfonyl)pyrrolidin-1-yl]methyl]pyridin-2-amine
SMILESNc1cccc(CN2CC[C@@H](S(=O)(=O)C(F)(F)F)C2)n1
InChIInChI=1S/C11H14F3N3O2S/c12-11(13,14)20(18,19)9-4-5-17(7-9)6-8-2-1-3-10(15)16-8/h1-3,9H,4-7H2,(H2,15,16)/t9-/m1/s1
InChIKeyBRXJWDCXXGWYOM-SECBINFHSA-N
MW309.31 g/mol
LogP1.17
Rot. Bonds3

About 6-[[(3R)-3-(trifluoromethylsulfonyl)pyrrolidin-1-yl]methyl]pyridin-2-amine

6-[[(3R)-3-(trifluoromethylsulfonyl)pyrrolidin-1-yl]methyl]pyridin-2-amine (PubChem CID 90305518) has the molecular formula C11H14F3N3O2S and a molecular weight of 309.31 g/mol. Its IUPAC name is 6-[[(3R)-3-(trifluoromethylsulfonyl)pyrrolidin-1-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name6-[[(3R)-3-(trifluoromethylsulfonyl)pyrrolidin-1-yl]methyl]pyridin-2-amine
PubChem CID90305518
Molecular FormulaC11H14F3N3O2S
Molecular Weight309.31 g/mol
Exact Mass309.08
IUPAC Name6-[[(3R)-3-(trifluoromethylsulfonyl)pyrrolidin-1-yl]methyl]pyridin-2-amine
SMILESNc1cccc(CN2CC[C@@H](S(=O)(=O)C(F)(F)F)C2)n1
InChIInChI=1S/C11H14F3N3O2S/c12-11(13,14)20(18,19)9-4-5-17(7-9)6-8-2-1-3-10(15)16-8/h1-3,9H,4-7H2,(H2,15,16)/t9-/m1/s1
InChIKeyBRXJWDCXXGWYOM-SECBINFHSA-N
XLogP1.17
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.31
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-[(6-amino-2-pyridinyl)methyl]pyrrolidin-3-ol
CID 131002661
1-[(6-amino-2-pyridinyl)methyl]piperidine-3-carboxylic acid
CID 18771697
2-[(6-amino-2-pyridinyl)methyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82862697
6-[(4-cyclopropylpiperazin-1-yl)methyl]pyridin-2-amine
CID 79243577
6-[[3-(dimethylamino)piperidin-1-yl]methyl]pyridin-2-amine
CID 79230714
6-[(3,5-dimethylpiperidin-1-yl)methyl]pyridin-2-amine
CID 18771836
6-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]pyridin-2-amine
CID 79243530
6-[(4-ethyl-3-methylpiperazin-1-yl)methyl]pyridin-2-amine
CID 79230691
6-[(1-benzylpyrrolidin-3-yl)methyl]pyridin-2-amine
CID 143653645
tert-butyl N-[1-[(6-amino-2-pyridinyl)methyl]piperidin-4-yl]carbamate;bis(4-methylbenzenesulfonic acid)
CID 10189773
1-[(6-amino-2-pyridinyl)methyl]pyrrolidine-2-carboxamide
CID 79243973
2-[(3-fluoropyrrolidin-1-yl)methyl]-6-iodopyridine
CID 90305502

Frequently Asked Questions

What is the IUPAC name of 6-[[(3R)-3-(trifluoromethylsulfonyl)pyrrolidin-1-yl]methyl]pyridin-2-amine?
The IUPAC name of 6-[[(3R)-3-(trifluoromethylsulfonyl)pyrrolidin-1-yl]methyl]pyridin-2-amine (CID 90305518) is 6-[[(3R)-3-(trifluoromethylsulfonyl)pyrrolidin-1-yl]methyl]pyridin-2-amine.
What is the SMILES notation for 6-[[(3R)-3-(trifluoromethylsulfonyl)pyrrolidin-1-yl]methyl]pyridin-2-amine?
The canonical SMILES for 6-[[(3R)-3-(trifluoromethylsulfonyl)pyrrolidin-1-yl]methyl]pyridin-2-amine is Nc1cccc(CN2CC[C@@H](S(=O)(=O)C(F)(F)F)C2)n1.
What is the InChIKey of 6-[[(3R)-3-(trifluoromethylsulfonyl)pyrrolidin-1-yl]methyl]pyridin-2-amine?
The InChIKey is BRXJWDCXXGWYOM-SECBINFHSA-N. The full InChI is InChI=1S/C11H14F3N3O2S/c12-11(13,14)20(18,19)9-4-5-17(7-9)6-8-2-1-3-10(15)16-8/h1-3,9H,4-7H2,(H2,15,16)/t9-/m1/s1.
What are the key properties of 6-[[(3R)-3-(trifluoromethylsulfonyl)pyrrolidin-1-yl]methyl]pyridin-2-amine?
6-[[(3R)-3-(trifluoromethylsulfonyl)pyrrolidin-1-yl]methyl]pyridin-2-amine has a molecular weight of 309.31 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(3R)-3-(trifluoromethylsulfonyl)pyrrolidin-1-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 90305518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).