(R)-N-[(E)-3-cyclohexylprop-2-enyl]-2-methylpropane-2-sulfinamide

C13H25NOS — CID 56969752

IUPAC(R)-N-[(E)-3-cyclohexylprop-2-enyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)NC/C=C/C1CCCCC1
InChIInChI=1S/C13H25NOS/c1-13(2,3)16(15)14-11-7-10-12-8-5-4-6-9-12/h7,10,12,14H,4-6,8-9,11H2,1-3H3/b10-7+/t16-/m1/s1
InChIKeyJFFMBENENIRXAO-OJXHRBAXSA-N
MW243.42 g/mol
LogP3.17
Rot. Bonds4

About (R)-N-[(E)-3-cyclohexylprop-2-enyl]-2-methylpropane-2-sulfinamide

(R)-N-[(E)-3-cyclohexylprop-2-enyl]-2-methylpropane-2-sulfinamide (PubChem CID 56969752) has the molecular formula C13H25NOS and a molecular weight of 243.42 g/mol. Its IUPAC name is (R)-N-[(E)-3-cyclohexylprop-2-enyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(E)-3-cyclohexylprop-2-enyl]-2-methylpropane-2-sulfinamide
PubChem CID56969752
Molecular FormulaC13H25NOS
Molecular Weight243.42 g/mol
Exact Mass243.17
IUPAC Name(R)-N-[(E)-3-cyclohexylprop-2-enyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)NC/C=C/C1CCCCC1
InChIInChI=1S/C13H25NOS/c1-13(2,3)16(15)14-11-7-10-12-8-5-4-6-9-12/h7,10,12,14H,4-6,8-9,11H2,1-3H3/b10-7+/t16-/m1/s1
InChIKeyJFFMBENENIRXAO-OJXHRBAXSA-N
XLogP3.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.42
LogP ≤ 53.17
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

(R)-N-[(E,2S)-1-cyclohexylhept-3-en-2-yl]-2-methylpropane-2-sulfinamide
CID 134941850
(R)-2-methyl-N-[(E,5S)-2-methyldec-6-en-5-yl]propane-2-sulfinamide
CID 135000629
(R)-N-[(E,1S)-1-cyclohexylhex-2-enyl]-2-methylpropane-2-sulfinamide
CID 135000883
2-methyl-N-(4-methylcyclohex-2-en-1-yl)propane-2-sulfinamide
CID 70892547
N-ethyl-4-methylcyclohexene-1-sulfonamide
CID 163457925
(S)-N-[(2S)-1-cyclohexylbut-3-en-2-yl]-2-methylpropane-2-sulfinamide
CID 11196188
N-[(E)-3-cyclohexylprop-2-enyl]-2-methylpropane-2-sulfonamide
CID 101566531
N-(1-cyclohex-2-en-1-ylbut-3-enyl)-2-methylpropane-2-sulfinamide
CID 102107435
N-[(1R)-1-[(1S)-cyclohex-2-en-1-yl]propyl]-2-methylpropane-2-sulfinamide
CID 102473484
1-cyclohexyl-N-[(E)-pent-3-enyl]methanesulfonamide
CID 115628719
N-[(1R)-1-[(1S)-cyclohex-2-en-1-yl]-3-methylbutyl]-2-methylpropane-2-sulfinamide
CID 132574199

Frequently Asked Questions

What is the IUPAC name of (R)-N-[(E)-3-cyclohexylprop-2-enyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(E)-3-cyclohexylprop-2-enyl]-2-methylpropane-2-sulfinamide (CID 56969752) is (R)-N-[(E)-3-cyclohexylprop-2-enyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(E)-3-cyclohexylprop-2-enyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(E)-3-cyclohexylprop-2-enyl]-2-methylpropane-2-sulfinamide is CC(C)(C)[S@@](=O)NC/C=C/C1CCCCC1.
What is the InChIKey of (R)-N-[(E)-3-cyclohexylprop-2-enyl]-2-methylpropane-2-sulfinamide?
The InChIKey is JFFMBENENIRXAO-OJXHRBAXSA-N. The full InChI is InChI=1S/C13H25NOS/c1-13(2,3)16(15)14-11-7-10-12-8-5-4-6-9-12/h7,10,12,14H,4-6,8-9,11H2,1-3H3/b10-7+/t16-/m1/s1.
What are the key properties of (R)-N-[(E)-3-cyclohexylprop-2-enyl]-2-methylpropane-2-sulfinamide?
(R)-N-[(E)-3-cyclohexylprop-2-enyl]-2-methylpropane-2-sulfinamide has a molecular weight of 243.42 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(E)-3-cyclohexylprop-2-enyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 56969752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).