(R)-2-methyl-N-[(2R)-octan-2-yl]propane-2-sulfinamide

C12H27NOS — CID 162412357

IUPAC(R)-2-methyl-N-[(2R)-octan-2-yl]propane-2-sulfinamide
SMILESCCCCCC[C@@H](C)N[S@](=O)C(C)(C)C
InChIInChI=1S/C12H27NOS/c1-6-7-8-9-10-11(2)13-15(14)12(3,4)5/h11,13H,6-10H2,1-5H3/t11-,15-/m1/s1
InChIKeyIAKMEPVHZRPLRY-IAQYHMDHSA-N
MW233.42 g/mol
LogP3.40
Rot. Bonds7

About (R)-2-methyl-N-[(2R)-octan-2-yl]propane-2-sulfinamide

(R)-2-methyl-N-[(2R)-octan-2-yl]propane-2-sulfinamide (PubChem CID 162412357) has the molecular formula C12H27NOS and a molecular weight of 233.42 g/mol. Its IUPAC name is (R)-2-methyl-N-[(2R)-octan-2-yl]propane-2-sulfinamide.

Molecular Properties

Compound Name(R)-2-methyl-N-[(2R)-octan-2-yl]propane-2-sulfinamide
PubChem CID162412357
Molecular FormulaC12H27NOS
Molecular Weight233.42 g/mol
Exact Mass233.18
IUPAC Name(R)-2-methyl-N-[(2R)-octan-2-yl]propane-2-sulfinamide
SMILESCCCCCC[C@@H](C)N[S@](=O)C(C)(C)C
InChIInChI=1S/C12H27NOS/c1-6-7-8-9-10-11(2)13-15(14)12(3,4)5/h11,13H,6-10H2,1-5H3/t11-,15-/m1/s1
InChIKeyIAKMEPVHZRPLRY-IAQYHMDHSA-N
XLogP3.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.42
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (R)-2-methyl-N-[(2R)-octan-2-yl]propane-2-sulfinamide?
The IUPAC name of (R)-2-methyl-N-[(2R)-octan-2-yl]propane-2-sulfinamide (CID 162412357) is (R)-2-methyl-N-[(2R)-octan-2-yl]propane-2-sulfinamide.
What is the SMILES notation for (R)-2-methyl-N-[(2R)-octan-2-yl]propane-2-sulfinamide?
The canonical SMILES for (R)-2-methyl-N-[(2R)-octan-2-yl]propane-2-sulfinamide is CCCCCC[C@@H](C)N[S@](=O)C(C)(C)C.
What is the InChIKey of (R)-2-methyl-N-[(2R)-octan-2-yl]propane-2-sulfinamide?
The InChIKey is IAKMEPVHZRPLRY-IAQYHMDHSA-N. The full InChI is InChI=1S/C12H27NOS/c1-6-7-8-9-10-11(2)13-15(14)12(3,4)5/h11,13H,6-10H2,1-5H3/t11-,15-/m1/s1.
What are the key properties of (R)-2-methyl-N-[(2R)-octan-2-yl]propane-2-sulfinamide?
(R)-2-methyl-N-[(2R)-octan-2-yl]propane-2-sulfinamide has a molecular weight of 233.42 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-2-methyl-N-[(2R)-octan-2-yl]propane-2-sulfinamide is sourced from PubChem (CID 162412357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).