3-chloro-N-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine

C16H21ClF3N3O3S — CID 133311648

IUPAC3-chloro-N-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine
SMILESO=S(=O)(C1CCOCC1)N1CCC(Nc2ncc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C16H21ClF3N3O3S/c17-14-9-11(16(18,19)20)10-21-15(14)22-12-1-5-23(6-2-12)27(24,25)13-3-7-26-8-4-13/h9-10,12-13H,1-8H2,(H,21,22)
InChIKeyKOZAQBOBCHLVLR-UHFFFAOYSA-N
MW427.88 g/mol
LogP3.14
Rot. Bonds4

About 3-chloro-N-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine

3-chloro-N-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 133311648) has the molecular formula C16H21ClF3N3O3S and a molecular weight of 427.88 g/mol. Its IUPAC name is 3-chloro-N-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID133311648
Molecular FormulaC16H21ClF3N3O3S
Molecular Weight427.88 g/mol
Exact Mass427.09
IUPAC Name3-chloro-N-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine
SMILESO=S(=O)(C1CCOCC1)N1CCC(Nc2ncc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C16H21ClF3N3O3S/c17-14-9-11(16(18,19)20)10-21-15(14)22-12-1-5-23(6-2-12)27(24,25)13-3-7-26-8-4-13/h9-10,12-13H,1-8H2,(H,21,22)
InChIKeyKOZAQBOBCHLVLR-UHFFFAOYSA-N
XLogP3.14
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.88
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine
CID 133311693
3-chloro-N-(1-oxothian-4-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 115886614
3-chloro-N-(1,4-dioxaspiro[4.5]decan-8-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 47054431
N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]cyclopropanesulfonamide
CID 163344238
3-chloro-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine
CID 133336273
3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-5-(trifluoromethyl)pyridin-2-amine
CID 28548311
3-chloro-N-(3-methylcyclobutyl)-5-(trifluoromethyl)pyridin-2-amine
CID 113248032
1-cyclopropylsulfonyl-N-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperidin-4-amine
CID 133348549
4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-cyclopropylpyrrolidin-2-one
CID 133357415
N-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]quinazolin-4-amine
CID 133311667
(4S)-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-propan-2-ylpyrrolidin-2-one
CID 52515382
6-[[1-(oxan-4-ylsulfonyl)piperidin-4-yl]amino]pyridine-3-carbonitrile
CID 133311673

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 3-chloro-N-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine (CID 133311648) is 3-chloro-N-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 3-chloro-N-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine is O=S(=O)(C1CCOCC1)N1CCC(Nc2ncc(C(F)(F)F)cc2Cl)CC1.
What is the InChIKey of 3-chloro-N-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is KOZAQBOBCHLVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClF3N3O3S/c17-14-9-11(16(18,19)20)10-21-15(14)22-12-1-5-23(6-2-12)27(24,25)13-3-7-26-8-4-13/h9-10,12-13H,1-8H2,(H,21,22).
What are the key properties of 3-chloro-N-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine?
3-chloro-N-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 427.88 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 133311648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).