(R)-N-[(E,2S)-hept-5-en-2-yl]-2-methylpropane-2-sulfinamide

C11H23NOS — CID 134945442

IUPAC(R)-N-[(E,2S)-hept-5-en-2-yl]-2-methylpropane-2-sulfinamide
SMILESC/C=C/CC[C@H](C)N[S@](=O)C(C)(C)C
InChIInChI=1S/C11H23NOS/c1-6-7-8-9-10(2)12-14(13)11(3,4)5/h6-7,10,12H,8-9H2,1-5H3/b7-6+/t10-,14+/m0/s1
InChIKeyCWJHWOWUXAMKGO-RCUAZDOOSA-N
MW217.38 g/mol
LogP2.78
Rot. Bonds5

About (R)-N-[(E,2S)-hept-5-en-2-yl]-2-methylpropane-2-sulfinamide

(R)-N-[(E,2S)-hept-5-en-2-yl]-2-methylpropane-2-sulfinamide (PubChem CID 134945442) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is (R)-N-[(E,2S)-hept-5-en-2-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(E,2S)-hept-5-en-2-yl]-2-methylpropane-2-sulfinamide
PubChem CID134945442
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC Name(R)-N-[(E,2S)-hept-5-en-2-yl]-2-methylpropane-2-sulfinamide
SMILESC/C=C/CC[C@H](C)N[S@](=O)C(C)(C)C
InChIInChI=1S/C11H23NOS/c1-6-7-8-9-10(2)12-14(13)11(3,4)5/h6-7,10,12H,8-9H2,1-5H3/b7-6+/t10-,14+/m0/s1
InChIKeyCWJHWOWUXAMKGO-RCUAZDOOSA-N
XLogP2.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.38
LogP ≤ 52.78
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

2-methyl-N-[(4R)-6-methylhept-1-en-4-yl]propane-2-sulfinamide
CID 132574202
Tert-butyl-oxido-(1,1,7-trifluorohept-5-en-3-ylamino)sulfanium
CID 175485443
(S)-N-[(4R,5E)-hepta-1,5-dien-4-yl]-2-methylpropane-2-sulfinamide
CID 46946711
(S)-N-[(3R)-hexa-1,5-dien-3-yl]-2-methylpropane-2-sulfinamide
CID 46946712
(S)-2-methyl-N-[(3R)-2-methylhex-5-en-3-yl]propane-2-sulfinamide
CID 71573514
(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-[(Z,2S)-hept-5-en-2-yl]-2-methylpropane-2-sulfinamide
CID 134945451
(R)-2-methyl-N-[(3S)-2-methylhex-5-en-3-yl]propane-2-sulfinamide
CID 134963746
(R)-2-methyl-N-[(E,4S)-non-5-en-4-yl]propane-2-sulfinamide
CID 134964096
(S)-N-[(1S,6S)-6-[[(S)-tert-butylsulfinyl]amino]cyclohex-3-en-1-yl]-2-methylpropane-2-sulfinamide
CID 134967893
(R)-N-[(E,6S)-dodec-4-en-6-yl]-2-methylpropane-2-sulfinamide
CID 135000510

Frequently Asked Questions

What is the IUPAC name of (R)-N-[(E,2S)-hept-5-en-2-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(E,2S)-hept-5-en-2-yl]-2-methylpropane-2-sulfinamide (CID 134945442) is (R)-N-[(E,2S)-hept-5-en-2-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(E,2S)-hept-5-en-2-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(E,2S)-hept-5-en-2-yl]-2-methylpropane-2-sulfinamide is C/C=C/CC[C@H](C)N[S@](=O)C(C)(C)C.
What is the InChIKey of (R)-N-[(E,2S)-hept-5-en-2-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is CWJHWOWUXAMKGO-RCUAZDOOSA-N. The full InChI is InChI=1S/C11H23NOS/c1-6-7-8-9-10(2)12-14(13)11(3,4)5/h6-7,10,12H,8-9H2,1-5H3/b7-6+/t10-,14+/m0/s1.
What are the key properties of (R)-N-[(E,2S)-hept-5-en-2-yl]-2-methylpropane-2-sulfinamide?
(R)-N-[(E,2S)-hept-5-en-2-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 217.38 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(E,2S)-hept-5-en-2-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 134945442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).