(R)-N-[(1S,6R)-6-fluorocyclohex-3-en-1-yl]-2-methylpropane-2-sulfinamide

C10H18FNOS — CID 56641842

IUPAC(R)-N-[(1S,6R)-6-fluorocyclohex-3-en-1-yl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N[C@H]1CC=CC[C@H]1F
InChIInChI=1S/C10H18FNOS/c1-10(2,3)14(13)12-9-7-5-4-6-8(9)11/h4-5,8-9,12H,6-7H2,1-3H3/t8-,9+,14-/m1/s1
InChIKeyGZSMJNRRJMZACU-TVLCNXBWSA-N
MW219.32 g/mol
LogP2.09
Rot. Bonds2

About (R)-N-[(1S,6R)-6-fluorocyclohex-3-en-1-yl]-2-methylpropane-2-sulfinamide

(R)-N-[(1S,6R)-6-fluorocyclohex-3-en-1-yl]-2-methylpropane-2-sulfinamide (PubChem CID 56641842) has the molecular formula C10H18FNOS and a molecular weight of 219.32 g/mol. Its IUPAC name is (R)-N-[(1S,6R)-6-fluorocyclohex-3-en-1-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(1S,6R)-6-fluorocyclohex-3-en-1-yl]-2-methylpropane-2-sulfinamide
PubChem CID56641842
Molecular FormulaC10H18FNOS
Molecular Weight219.32 g/mol
Exact Mass219.11
IUPAC Name(R)-N-[(1S,6R)-6-fluorocyclohex-3-en-1-yl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N[C@H]1CC=CC[C@H]1F
InChIInChI=1S/C10H18FNOS/c1-10(2,3)14(13)12-9-7-5-4-6-8(9)11/h4-5,8-9,12H,6-7H2,1-3H3/t8-,9+,14-/m1/s1
InChIKeyGZSMJNRRJMZACU-TVLCNXBWSA-N
XLogP2.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.32
LogP ≤ 52.09
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

(S)-2-methyl-N-[(4S)-7,7,7-trifluorohept-1-en-4-yl]propane-2-sulfinamide
CID 163278233
(S)-2-methyl-N-[(4R)-1,1,1-trifluorooct-7-en-4-yl]propane-2-sulfinamide
CID 163278360
2-methyl-N-(1,1,1-trifluorooct-7-en-4-yl)propane-2-sulfinamide
CID 167047180
tert-butyl-oxido-[[(4S)-7,7,7-trifluorohept-1-en-4-yl]amino]sulfanium
CID 174004820
Tert-butyl-oxido-(1,1,7-trifluorohept-5-en-3-ylamino)sulfanium
CID 175485443
Tert-butyl-oxido-(1,3,7-trifluorohept-1-en-4-ylamino)sulfanium
CID 175485465
(S)-N-[(4R,5E)-hepta-1,5-dien-4-yl]-2-methylpropane-2-sulfinamide
CID 46946711
(R)-2-methyl-N-[(E,3S)-oct-4-en-3-yl]propane-2-sulfinamide
CID 131866049
(R)-N-[(Z,2R)-hept-5-en-2-yl]-2-methylpropane-2-sulfinamide
CID 134945406
(R)-N-[(E,2S)-hept-5-en-2-yl]-2-methylpropane-2-sulfinamide
CID 134945442
(R)-N-[(Z,2S)-hept-5-en-2-yl]-2-methylpropane-2-sulfinamide
CID 134945451
(R)-2-methyl-N-[(E,4S)-non-5-en-4-yl]propane-2-sulfinamide
CID 134964096

Frequently Asked Questions

What is the IUPAC name of (R)-N-[(1S,6R)-6-fluorocyclohex-3-en-1-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(1S,6R)-6-fluorocyclohex-3-en-1-yl]-2-methylpropane-2-sulfinamide (CID 56641842) is (R)-N-[(1S,6R)-6-fluorocyclohex-3-en-1-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(1S,6R)-6-fluorocyclohex-3-en-1-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(1S,6R)-6-fluorocyclohex-3-en-1-yl]-2-methylpropane-2-sulfinamide is CC(C)(C)[S@@](=O)N[C@H]1CC=CC[C@H]1F.
What is the InChIKey of (R)-N-[(1S,6R)-6-fluorocyclohex-3-en-1-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is GZSMJNRRJMZACU-TVLCNXBWSA-N. The full InChI is InChI=1S/C10H18FNOS/c1-10(2,3)14(13)12-9-7-5-4-6-8(9)11/h4-5,8-9,12H,6-7H2,1-3H3/t8-,9+,14-/m1/s1.
What are the key properties of (R)-N-[(1S,6R)-6-fluorocyclohex-3-en-1-yl]-2-methylpropane-2-sulfinamide?
(R)-N-[(1S,6R)-6-fluorocyclohex-3-en-1-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 219.32 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(1S,6R)-6-fluorocyclohex-3-en-1-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 56641842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).