(S)-2-methyl-N-[(3R)-3-methylhex-5-en-3-yl]propane-2-sulfinamide

C11H23NOS — CID 125475744

IUPAC(S)-2-methyl-N-[(3R)-3-methylhex-5-en-3-yl]propane-2-sulfinamide
SMILESC=CC[C@@](C)(CC)N[S@@](=O)C(C)(C)C
InChIInChI=1S/C11H23NOS/c1-7-9-11(6,8-2)12-14(13)10(3,4)5/h7,12H,1,8-9H2,2-6H3/t11-,14+/m1/s1
InChIKeyNNHYLPYISQIDKK-RISCZKNCSA-N
MW217.38 g/mol
LogP2.78
Rot. Bonds5

About (S)-2-methyl-N-[(3R)-3-methylhex-5-en-3-yl]propane-2-sulfinamide

(S)-2-methyl-N-[(3R)-3-methylhex-5-en-3-yl]propane-2-sulfinamide (PubChem CID 125475744) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is (S)-2-methyl-N-[(3R)-3-methylhex-5-en-3-yl]propane-2-sulfinamide.

Molecular Properties

Compound Name(S)-2-methyl-N-[(3R)-3-methylhex-5-en-3-yl]propane-2-sulfinamide
PubChem CID125475744
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC Name(S)-2-methyl-N-[(3R)-3-methylhex-5-en-3-yl]propane-2-sulfinamide
SMILESC=CC[C@@](C)(CC)N[S@@](=O)C(C)(C)C
InChIInChI=1S/C11H23NOS/c1-7-9-11(6,8-2)12-14(13)10(3,4)5/h7,12H,1,8-9H2,2-6H3/t11-,14+/m1/s1
InChIKeyNNHYLPYISQIDKK-RISCZKNCSA-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

carbon dioxide;2-methyl-N-(3-methylpentan-3-yl)propane-2-sulfinamide
CID 157064590
(S)-N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylbutan-2-yl]-2-methylpropane-2-sulfinamide
CID 90089955
(R)-N-[(2S)-2-(2-fluorophenyl)pent-4-en-2-yl]-2-methylpropane-2-sulfinamide
CID 118399552
2-methyl-N-(2-methylbutan-2-yl)pent-4-en-2-amine
CID 142811014
methyl 2-ethyl-2-methylpent-4-enoate
CID 14714437
2-(ethenylamino)-2-methylbutan-1-ol
CID 164540585
(R)-N-[(2S)-2-[2-fluoro-5-(2-oxopropyl)phenyl]pent-4-en-2-yl]-2-methylpropane-2-sulfinamide
CID 159301963
4-methyl-4-propylhept-1-ene
CID 139926982
ethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]pent-4-enoate
CID 125476863
2-methyl-N-[(1R)-1-(4-methylphenyl)but-3-enyl]propane-2-sulfinamide
CID 101416898
N-[(1R)-1-cyclopropylbut-3-enyl]-2-methylpropane-2-sulfinamide
CID 101416910
N-[(1R)-1-(4-fluorophenyl)but-3-enyl]-2-methylpropane-2-sulfinamide
CID 101416892

Frequently Asked Questions

What is the IUPAC name of (S)-2-methyl-N-[(3R)-3-methylhex-5-en-3-yl]propane-2-sulfinamide?
The IUPAC name of (S)-2-methyl-N-[(3R)-3-methylhex-5-en-3-yl]propane-2-sulfinamide (CID 125475744) is (S)-2-methyl-N-[(3R)-3-methylhex-5-en-3-yl]propane-2-sulfinamide.
What is the SMILES notation for (S)-2-methyl-N-[(3R)-3-methylhex-5-en-3-yl]propane-2-sulfinamide?
The canonical SMILES for (S)-2-methyl-N-[(3R)-3-methylhex-5-en-3-yl]propane-2-sulfinamide is C=CC[C@@](C)(CC)N[S@@](=O)C(C)(C)C.
What is the InChIKey of (S)-2-methyl-N-[(3R)-3-methylhex-5-en-3-yl]propane-2-sulfinamide?
The InChIKey is NNHYLPYISQIDKK-RISCZKNCSA-N. The full InChI is InChI=1S/C11H23NOS/c1-7-9-11(6,8-2)12-14(13)10(3,4)5/h7,12H,1,8-9H2,2-6H3/t11-,14+/m1/s1.
What are the key properties of (S)-2-methyl-N-[(3R)-3-methylhex-5-en-3-yl]propane-2-sulfinamide?
(S)-2-methyl-N-[(3R)-3-methylhex-5-en-3-yl]propane-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 (S)-2-methyl-N-[(3R)-3-methylhex-5-en-3-yl]propane-2-sulfinamide is sourced from PubChem (CID 125475744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).