(4S)-4-(4-fluorophenyl)-2-methylhept-6-ene-2-sulfinamide

C14H20FNOS — CID 168761550

IUPAC(4S)-4-(4-fluorophenyl)-2-methylhept-6-ene-2-sulfinamide
SMILESC=CC[C@@H](CC(C)(C)S(N)=O)c1ccc(F)cc1
InChIInChI=1S/C14H20FNOS/c1-4-5-12(10-14(2,3)18(16)17)11-6-8-13(15)9-7-11/h4,6-9,12H,1,5,10,16H2,2-3H3/t12-,18?/m0/s1
InChIKeyKSAJCFUAHYSLQW-RSXQAXDFSA-N
MW269.39 g/mol
LogP3.28
Rot. Bonds6

About (4S)-4-(4-fluorophenyl)-2-methylhept-6-ene-2-sulfinamide

(4S)-4-(4-fluorophenyl)-2-methylhept-6-ene-2-sulfinamide (PubChem CID 168761550) has the molecular formula C14H20FNOS and a molecular weight of 269.39 g/mol. Its IUPAC name is (4S)-4-(4-fluorophenyl)-2-methylhept-6-ene-2-sulfinamide.

Molecular Properties

Compound Name(4S)-4-(4-fluorophenyl)-2-methylhept-6-ene-2-sulfinamide
PubChem CID168761550
Molecular FormulaC14H20FNOS
Molecular Weight269.39 g/mol
Exact Mass269.12
IUPAC Name(4S)-4-(4-fluorophenyl)-2-methylhept-6-ene-2-sulfinamide
SMILESC=CC[C@@H](CC(C)(C)S(N)=O)c1ccc(F)cc1
InChIInChI=1S/C14H20FNOS/c1-4-5-12(10-14(2,3)18(16)17)11-6-8-13(15)9-7-11/h4,6-9,12H,1,5,10,16H2,2-3H3/t12-,18?/m0/s1
InChIKeyKSAJCFUAHYSLQW-RSXQAXDFSA-N
XLogP3.28
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4R)-4-(5-fluoro-2-methoxy-3-pyridinyl)-2-methylhept-6-ene-2-sulfinamide
CID 155613987
2-(4-fluorophenyl)-N-methylpent-4-en-1-amine
CID 18354439
N-[(1R)-1-(4-fluorophenyl)but-3-enyl]-2-methylpropane-2-sulfinamide
CID 101416892
(2R)-2-(4-fluorophenyl)pent-4-enamide
CID 101191870
(4S)-4-[5-(difluoromethyl)-2-fluorophenyl]-2-methylpentane-2-sulfinamide
CID 140876931
(4S)-4-(3-amino-4-fluorophenyl)-2-methyl-4-phenylbutane-2-sulfinamide
CID 140777568
(4S)-4-[4-(4-fluoropyrazol-1-yl)phenyl]-2-methylpentane-2-sulfinamide
CID 168756647
3-(4-fluorophenyl)-4,4-dimethylpentanamide
CID 82080473
(2S)-2-(4-fluorophenyl)pent-4-enoyl chloride
CID 15536025
[(3S)-3-(4-fluorophenyl)hex-5-enyl]-[(1S)-1-(4-hydroxyphenyl)ethyl]carbamic acid
CID 90346607
1-fluoro-4-[(4-fluorophenyl)-prop-2-enoxymethyl]benzene
CID 122382363
(2S)-2-(4-fluorophenyl)pent-4-enenitrile
CID 101191860

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(4-fluorophenyl)-2-methylhept-6-ene-2-sulfinamide?
The IUPAC name of (4S)-4-(4-fluorophenyl)-2-methylhept-6-ene-2-sulfinamide (CID 168761550) is (4S)-4-(4-fluorophenyl)-2-methylhept-6-ene-2-sulfinamide.
What is the SMILES notation for (4S)-4-(4-fluorophenyl)-2-methylhept-6-ene-2-sulfinamide?
The canonical SMILES for (4S)-4-(4-fluorophenyl)-2-methylhept-6-ene-2-sulfinamide is C=CC[C@@H](CC(C)(C)S(N)=O)c1ccc(F)cc1.
What is the InChIKey of (4S)-4-(4-fluorophenyl)-2-methylhept-6-ene-2-sulfinamide?
The InChIKey is KSAJCFUAHYSLQW-RSXQAXDFSA-N. The full InChI is InChI=1S/C14H20FNOS/c1-4-5-12(10-14(2,3)18(16)17)11-6-8-13(15)9-7-11/h4,6-9,12H,1,5,10,16H2,2-3H3/t12-,18?/m0/s1.
What are the key properties of (4S)-4-(4-fluorophenyl)-2-methylhept-6-ene-2-sulfinamide?
(4S)-4-(4-fluorophenyl)-2-methylhept-6-ene-2-sulfinamide has a molecular weight of 269.39 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(4-fluorophenyl)-2-methylhept-6-ene-2-sulfinamide is sourced from PubChem (CID 168761550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).