(S)-2-methyl-N-[(4S)-oct-1-en-4-yl]propane-2-sulfinamide

C12H25NOS — CID 89037262

IUPAC(S)-2-methyl-N-[(4S)-oct-1-en-4-yl]propane-2-sulfinamide
SMILESC=CC[C@H](CCCC)N[S@@](=O)C(C)(C)C
InChIInChI=1S/C12H25NOS/c1-6-8-10-11(9-7-2)13-15(14)12(3,4)5/h7,11,13H,2,6,8-10H2,1,3-5H3/t11-,15+/m1/s1
InChIKeyWJTUIIZGPLWLOC-ABAIWWIYSA-N
MW231.40 g/mol
LogP3.17
Rot. Bonds7

About (S)-2-methyl-N-[(4S)-oct-1-en-4-yl]propane-2-sulfinamide

(S)-2-methyl-N-[(4S)-oct-1-en-4-yl]propane-2-sulfinamide (PubChem CID 89037262) has the molecular formula C12H25NOS and a molecular weight of 231.40 g/mol. Its IUPAC name is (S)-2-methyl-N-[(4S)-oct-1-en-4-yl]propane-2-sulfinamide.

Molecular Properties

Compound Name(S)-2-methyl-N-[(4S)-oct-1-en-4-yl]propane-2-sulfinamide
PubChem CID89037262
Molecular FormulaC12H25NOS
Molecular Weight231.40 g/mol
Exact Mass231.17
IUPAC Name(S)-2-methyl-N-[(4S)-oct-1-en-4-yl]propane-2-sulfinamide
SMILESC=CC[C@H](CCCC)N[S@@](=O)C(C)(C)C
InChIInChI=1S/C12H25NOS/c1-6-8-10-11(9-7-2)13-15(14)12(3,4)5/h7,11,13H,2,6,8-10H2,1,3-5H3/t11-,15+/m1/s1
InChIKeyWJTUIIZGPLWLOC-ABAIWWIYSA-N
XLogP3.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.40
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-[(4R)-dodec-1-en-4-yl]-2-methylpropane-2-sulfinamide
CID 135006016
(R)-2-methyl-N-[(4R)-2-methyldodec-1-en-4-yl]propane-2-sulfinamide
CID 135006017
2-methyl-N-[(4R)-6-methylhept-1-en-4-yl]propane-2-sulfinamide
CID 132574202
(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-[[(4R)-1,1,1-trifluorooct-7-en-4-yl]amino]sulfanium
CID 174004821
Tert-butyl-oxido-(1,1,2-trifluorooct-7-en-4-ylamino)sulfanium
CID 175485390
Tert-butyl-oxido-(1,3,7-trifluorohept-1-en-4-ylamino)sulfanium
CID 175485465
(R)-N-[(1S)-1-cyclohexylbut-3-enyl]-2-methylpropane-2-sulfinamide
CID 11984214
(S)-2-methyl-N-[(4S)-tridec-1-en-4-yl]propane-2-sulfinamide
CID 46944527

Frequently Asked Questions

What is the IUPAC name of (S)-2-methyl-N-[(4S)-oct-1-en-4-yl]propane-2-sulfinamide?
The IUPAC name of (S)-2-methyl-N-[(4S)-oct-1-en-4-yl]propane-2-sulfinamide (CID 89037262) is (S)-2-methyl-N-[(4S)-oct-1-en-4-yl]propane-2-sulfinamide.
What is the SMILES notation for (S)-2-methyl-N-[(4S)-oct-1-en-4-yl]propane-2-sulfinamide?
The canonical SMILES for (S)-2-methyl-N-[(4S)-oct-1-en-4-yl]propane-2-sulfinamide is C=CC[C@H](CCCC)N[S@@](=O)C(C)(C)C.
What is the InChIKey of (S)-2-methyl-N-[(4S)-oct-1-en-4-yl]propane-2-sulfinamide?
The InChIKey is WJTUIIZGPLWLOC-ABAIWWIYSA-N. The full InChI is InChI=1S/C12H25NOS/c1-6-8-10-11(9-7-2)13-15(14)12(3,4)5/h7,11,13H,2,6,8-10H2,1,3-5H3/t11-,15+/m1/s1.
What are the key properties of (S)-2-methyl-N-[(4S)-oct-1-en-4-yl]propane-2-sulfinamide?
(S)-2-methyl-N-[(4S)-oct-1-en-4-yl]propane-2-sulfinamide has a molecular weight of 231.40 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-2-methyl-N-[(4S)-oct-1-en-4-yl]propane-2-sulfinamide is sourced from PubChem (CID 89037262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).