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

C17H33NOS — CID 134941850

IUPAC(R)-N-[(E,2S)-1-cyclohexylhept-3-en-2-yl]-2-methylpropane-2-sulfinamide
SMILESCCC/C=C/[C@H](CC1CCCCC1)N[S@](=O)C(C)(C)C
InChIInChI=1S/C17H33NOS/c1-5-6-8-13-16(18-20(19)17(2,3)4)14-15-11-9-7-10-12-15/h8,13,15-16,18H,5-7,9-12,14H2,1-4H3/b13-8+/t16-,20-/m1/s1
InChIKeyWOXXSJABLHGXKI-ZGHSMTFWSA-N
MW299.52 g/mol
LogP4.73
Rot. Bonds7

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

(R)-N-[(E,2S)-1-cyclohexylhept-3-en-2-yl]-2-methylpropane-2-sulfinamide (PubChem CID 134941850) has the molecular formula C17H33NOS and a molecular weight of 299.52 g/mol. Its IUPAC name is (R)-N-[(E,2S)-1-cyclohexylhept-3-en-2-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(E,2S)-1-cyclohexylhept-3-en-2-yl]-2-methylpropane-2-sulfinamide
PubChem CID134941850
Molecular FormulaC17H33NOS
Molecular Weight299.52 g/mol
Exact Mass299.23
IUPAC Name(R)-N-[(E,2S)-1-cyclohexylhept-3-en-2-yl]-2-methylpropane-2-sulfinamide
SMILESCCC/C=C/[C@H](CC1CCCCC1)N[S@](=O)C(C)(C)C
InChIInChI=1S/C17H33NOS/c1-5-6-8-13-16(18-20(19)17(2,3)4)14-15-11-9-7-10-12-15/h8,13,15-16,18H,5-7,9-12,14H2,1-4H3/b13-8+/t16-,20-/m1/s1
InChIKeyWOXXSJABLHGXKI-ZGHSMTFWSA-N
XLogP4.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.52
LogP ≤ 54.73
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-[(1R)-1-cyclohexyl-2-ethenylbut-3-enyl]-2-methylpropane-2-sulfinamide
CID 139093106
(R)-N-[(1S)-1-cyclohexylbut-3-enyl]-2-methylpropane-2-sulfinamide
CID 11984214
(2E,1S,4S)-N,N'-bis-(tert-butylsulfonyl)-1,4-dicyclohexyl-but-2-ene-1,4-diamine
CID 101396860
(S)-N-[(R)-[(1S)-cyclohex-2-en-1-yl]-cyclohexylmethyl]-2-methylpropane-2-sulfinamide
CID 134941099
N-[(E,1R,4R)-4-(tert-butylsulfonylamino)-1,4-dicyclohexylbut-2-enyl]-2-methylpropane-2-sulfonamide
CID 134999210
(R)-N-[(E,6S)-dodec-4-en-6-yl]-2-methylpropane-2-sulfinamide
CID 135000510
(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
N-[(1R,3aR,7aR)-3a,4,5,6,7,7a-hexahydro-1H-inden-1-yl]-2-methylpropane-2-sulfonamide
CID 56839416
N-[(4R)-3-ethenyltridec-1-en-4-yl]-2-methylpropane-2-sulfinamide
CID 102333982
N-[(2Z)-cyclooct-2-en-1-yl]-4-methylcyclohexane-1-sulfonamide
CID 58760675
2-methyl-N-(4-methylcyclohex-2-en-1-yl)propane-2-sulfinamide
CID 70892547

Frequently Asked Questions

What is the IUPAC name of (R)-N-[(E,2S)-1-cyclohexylhept-3-en-2-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(E,2S)-1-cyclohexylhept-3-en-2-yl]-2-methylpropane-2-sulfinamide (CID 134941850) is (R)-N-[(E,2S)-1-cyclohexylhept-3-en-2-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(E,2S)-1-cyclohexylhept-3-en-2-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(E,2S)-1-cyclohexylhept-3-en-2-yl]-2-methylpropane-2-sulfinamide is CCC/C=C/[C@H](CC1CCCCC1)N[S@](=O)C(C)(C)C.
What is the InChIKey of (R)-N-[(E,2S)-1-cyclohexylhept-3-en-2-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is WOXXSJABLHGXKI-ZGHSMTFWSA-N. The full InChI is InChI=1S/C17H33NOS/c1-5-6-8-13-16(18-20(19)17(2,3)4)14-15-11-9-7-10-12-15/h8,13,15-16,18H,5-7,9-12,14H2,1-4H3/b13-8+/t16-,20-/m1/s1.
What are the key properties of (R)-N-[(E,2S)-1-cyclohexylhept-3-en-2-yl]-2-methylpropane-2-sulfinamide?
(R)-N-[(E,2S)-1-cyclohexylhept-3-en-2-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 299.52 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(E,2S)-1-cyclohexylhept-3-en-2-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 134941850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).