(4R)-4-(5-fluoro-2-methoxy-3-pyridinyl)-2-methylhept-6-ene-2-sulfinamide

C14H21FN2O2S — CID 155613987

IUPAC(4R)-4-(5-fluoro-2-methoxy-3-pyridinyl)-2-methylhept-6-ene-2-sulfinamide
SMILESC=CC[C@H](CC(C)(C)S(N)=O)c1cc(F)cnc1OC
InChIInChI=1S/C14H21FN2O2S/c1-5-6-10(8-14(2,3)20(16)18)12-7-11(15)9-17-13(12)19-4/h5,7,9-10H,1,6,8,16H2,2-4H3/t10-,20?/m1/s1
InChIKeyQMHHQTTVHSHRAR-LZGFGWTLSA-N
MW300.40 g/mol
LogP2.68
Rot. Bonds7

About (4R)-4-(5-fluoro-2-methoxy-3-pyridinyl)-2-methylhept-6-ene-2-sulfinamide

(4R)-4-(5-fluoro-2-methoxy-3-pyridinyl)-2-methylhept-6-ene-2-sulfinamide (PubChem CID 155613987) has the molecular formula C14H21FN2O2S and a molecular weight of 300.40 g/mol. Its IUPAC name is (4R)-4-(5-fluoro-2-methoxy-3-pyridinyl)-2-methylhept-6-ene-2-sulfinamide.

Molecular Properties

Compound Name(4R)-4-(5-fluoro-2-methoxy-3-pyridinyl)-2-methylhept-6-ene-2-sulfinamide
PubChem CID155613987
Molecular FormulaC14H21FN2O2S
Molecular Weight300.40 g/mol
Exact Mass300.13
IUPAC Name(4R)-4-(5-fluoro-2-methoxy-3-pyridinyl)-2-methylhept-6-ene-2-sulfinamide
SMILESC=CC[C@H](CC(C)(C)S(N)=O)c1cc(F)cnc1OC
InChIInChI=1S/C14H21FN2O2S/c1-5-6-10(8-14(2,3)20(16)18)12-7-11(15)9-17-13(12)19-4/h5,7,9-10H,1,6,8,16H2,2-4H3/t10-,20?/m1/s1
InChIKeyQMHHQTTVHSHRAR-LZGFGWTLSA-N
XLogP2.68
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (4R)-4-(5-fluoro-2-methoxy-3-pyridinyl)-2-methylhept-6-ene-2-sulfinamide with MolForge

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Related Compounds

1-(5-fluoro-2-methoxy-3-pyridinyl)but-3-en-1-amine
CID 147248052
1-(5-fluoro-2-methoxy-3-pyridinyl)ethanamine;dihydrochloride
CID 162422590
N-[1-(5-bromo-2-methoxy-3-pyridinyl)but-3-enyl]-2-methylpropane-2-sulfinamide
CID 90199531
[(1R)-1-(5-fluoro-2-methoxy-3-pyridinyl)ethyl] acetate
CID 168936041
3-tert-butyl-5-fluoro-2-methoxypyridine
CID 126576651
(1S)-1-(2-chloro-5-fluoro-3-pyridinyl)but-3-en-1-amine
CID 130865138
tert-butyl N-[1-(5-bromo-2-methoxy-3-pyridinyl)but-3-enyl]carbamate
CID 123374562
5-[(1R)-1-aminoprop-2-enyl]-6-methoxypyridin-3-amine
CID 55274368
(1R)-1-(5-bromo-2-methoxy-3-pyridinyl)prop-2-en-1-amine
CID 130632467
(1S)-1-(5-bromo-2-methoxy-3-pyridinyl)prop-2-en-1-amine
CID 130690048
3-(5-fluoro-2-methoxy-3-pyridinyl)prop-2-en-1-amine
CID 169463640
tert-butyl N-[4-(5-fluoro-2-methoxy-3-pyridinyl)but-3-enyl]carbamate
CID 170490540

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(5-fluoro-2-methoxy-3-pyridinyl)-2-methylhept-6-ene-2-sulfinamide?
The IUPAC name of (4R)-4-(5-fluoro-2-methoxy-3-pyridinyl)-2-methylhept-6-ene-2-sulfinamide (CID 155613987) is (4R)-4-(5-fluoro-2-methoxy-3-pyridinyl)-2-methylhept-6-ene-2-sulfinamide.
What is the SMILES notation for (4R)-4-(5-fluoro-2-methoxy-3-pyridinyl)-2-methylhept-6-ene-2-sulfinamide?
The canonical SMILES for (4R)-4-(5-fluoro-2-methoxy-3-pyridinyl)-2-methylhept-6-ene-2-sulfinamide is C=CC[C@H](CC(C)(C)S(N)=O)c1cc(F)cnc1OC.
What is the InChIKey of (4R)-4-(5-fluoro-2-methoxy-3-pyridinyl)-2-methylhept-6-ene-2-sulfinamide?
The InChIKey is QMHHQTTVHSHRAR-LZGFGWTLSA-N. The full InChI is InChI=1S/C14H21FN2O2S/c1-5-6-10(8-14(2,3)20(16)18)12-7-11(15)9-17-13(12)19-4/h5,7,9-10H,1,6,8,16H2,2-4H3/t10-,20?/m1/s1.
What are the key properties of (4R)-4-(5-fluoro-2-methoxy-3-pyridinyl)-2-methylhept-6-ene-2-sulfinamide?
(4R)-4-(5-fluoro-2-methoxy-3-pyridinyl)-2-methylhept-6-ene-2-sulfinamide has a molecular weight of 300.40 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(5-fluoro-2-methoxy-3-pyridinyl)-2-methylhept-6-ene-2-sulfinamide is sourced from PubChem (CID 155613987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).