(4R)-5,5,5-trifluoro-4-pyridin-2-ylpentane-2-sulfinamide

C10H13F3N2OS — CID 155645943

IUPAC(4R)-5,5,5-trifluoro-4-pyridin-2-ylpentane-2-sulfinamide
SMILESCC(C[C@H](c1ccccn1)C(F)(F)F)S(N)=O
InChIInChI=1S/C10H13F3N2OS/c1-7(17(14)16)6-8(10(11,12)13)9-4-2-3-5-15-9/h2-5,7-8H,6,14H2,1H3/t7?,8-,17?/m1/s1
InChIKeyVQULSMKOLDLGNX-BTQIHZBPSA-N
MW266.29 g/mol
LogP2.13
Rot. Bonds4

About (4R)-5,5,5-trifluoro-4-pyridin-2-ylpentane-2-sulfinamide

(4R)-5,5,5-trifluoro-4-pyridin-2-ylpentane-2-sulfinamide (PubChem CID 155645943) has the molecular formula C10H13F3N2OS and a molecular weight of 266.29 g/mol. Its IUPAC name is (4R)-5,5,5-trifluoro-4-pyridin-2-ylpentane-2-sulfinamide.

Molecular Properties

Compound Name(4R)-5,5,5-trifluoro-4-pyridin-2-ylpentane-2-sulfinamide
PubChem CID155645943
Molecular FormulaC10H13F3N2OS
Molecular Weight266.29 g/mol
Exact Mass266.07
IUPAC Name(4R)-5,5,5-trifluoro-4-pyridin-2-ylpentane-2-sulfinamide
SMILESCC(C[C@H](c1ccccn1)C(F)(F)F)S(N)=O
InChIInChI=1S/C10H13F3N2OS/c1-7(17(14)16)6-8(10(11,12)13)9-4-2-3-5-15-9/h2-5,7-8H,6,14H2,1H3/t7?,8-,17?/m1/s1
InChIKeyVQULSMKOLDLGNX-BTQIHZBPSA-N
XLogP2.13
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,4,4-trifluoro-3-pyridin-2-ylbutanoic acid
CID 82534716
2-(1,1,1-trifluoro-3-methylbutan-2-yl)pyridine
CID 166470570
2,2,2-trifluoro-1-pyridin-2-ylethanamine
CID 25219911
3,3,3-trifluoro-2-pyridin-2-ylpropanamide
CID 174447442
2-[2,2,2-trifluoro-1-(sulfinoamino)ethyl]pyridine
CID 176830597
3,3,5,5,6-pentamethyl-2-pyridin-2-ylheptan-1-amine
CID 71203351
2-pyridin-2-ylpropan-1-amine
CID 21481533
(2,2,2-trifluoro-1-pyridin-2-ylethyl)azanide
CID 154488282
2,4-dipyridin-2-ylpentan-3-one
CID 141048798
3-amino-1-pyridin-2-ylbutan-1-ol
CID 151032283
(1S)-3,3-dimethyl-1-pyridin-2-ylbutan-1-amine
CID 99737676
1-[2-(2,2,2-trifluoro-1-pyridin-2-ylethoxy)phenyl]ethanamine
CID 117052148

Frequently Asked Questions

What is the IUPAC name of (4R)-5,5,5-trifluoro-4-pyridin-2-ylpentane-2-sulfinamide?
The IUPAC name of (4R)-5,5,5-trifluoro-4-pyridin-2-ylpentane-2-sulfinamide (CID 155645943) is (4R)-5,5,5-trifluoro-4-pyridin-2-ylpentane-2-sulfinamide.
What is the SMILES notation for (4R)-5,5,5-trifluoro-4-pyridin-2-ylpentane-2-sulfinamide?
The canonical SMILES for (4R)-5,5,5-trifluoro-4-pyridin-2-ylpentane-2-sulfinamide is CC(C[C@H](c1ccccn1)C(F)(F)F)S(N)=O.
What is the InChIKey of (4R)-5,5,5-trifluoro-4-pyridin-2-ylpentane-2-sulfinamide?
The InChIKey is VQULSMKOLDLGNX-BTQIHZBPSA-N. The full InChI is InChI=1S/C10H13F3N2OS/c1-7(17(14)16)6-8(10(11,12)13)9-4-2-3-5-15-9/h2-5,7-8H,6,14H2,1H3/t7?,8-,17?/m1/s1.
What are the key properties of (4R)-5,5,5-trifluoro-4-pyridin-2-ylpentane-2-sulfinamide?
(4R)-5,5,5-trifluoro-4-pyridin-2-ylpentane-2-sulfinamide has a molecular weight of 266.29 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5,5,5-trifluoro-4-pyridin-2-ylpentane-2-sulfinamide is sourced from PubChem (CID 155645943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).