(R)-N-(3-ethylpentan-3-yl)-2-methylpropane-2-sulfinamide

C11H25NOS — CID 154599897

IUPAC(R)-N-(3-ethylpentan-3-yl)-2-methylpropane-2-sulfinamide
SMILESCCC(CC)(CC)N[S@](=O)C(C)(C)C
InChIInChI=1S/C11H25NOS/c1-7-11(8-2,9-3)12-14(13)10(4,5)6/h12H,7-9H2,1-6H3/t14-/m1/s1
InChIKeyHBGPSTWVYFQCLR-CQSZACIVSA-N
MW219.39 g/mol
LogP3.01
Rot. Bonds5

About (R)-N-(3-ethylpentan-3-yl)-2-methylpropane-2-sulfinamide

(R)-N-(3-ethylpentan-3-yl)-2-methylpropane-2-sulfinamide (PubChem CID 154599897) has the molecular formula C11H25NOS and a molecular weight of 219.39 g/mol. Its IUPAC name is (R)-N-(3-ethylpentan-3-yl)-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-(3-ethylpentan-3-yl)-2-methylpropane-2-sulfinamide
PubChem CID154599897
Molecular FormulaC11H25NOS
Molecular Weight219.39 g/mol
Exact Mass219.17
IUPAC Name(R)-N-(3-ethylpentan-3-yl)-2-methylpropane-2-sulfinamide
SMILESCCC(CC)(CC)N[S@](=O)C(C)(C)C
InChIInChI=1S/C11H25NOS/c1-7-11(8-2,9-3)12-14(13)10(4,5)6/h12H,7-9H2,1-6H3/t14-/m1/s1
InChIKeyHBGPSTWVYFQCLR-CQSZACIVSA-N
XLogP3.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.39
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (R)-N-(3-ethylpentan-3-yl)-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-(3-ethylpentan-3-yl)-2-methylpropane-2-sulfinamide (CID 154599897) is (R)-N-(3-ethylpentan-3-yl)-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-(3-ethylpentan-3-yl)-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-(3-ethylpentan-3-yl)-2-methylpropane-2-sulfinamide is CCC(CC)(CC)N[S@](=O)C(C)(C)C.
What is the InChIKey of (R)-N-(3-ethylpentan-3-yl)-2-methylpropane-2-sulfinamide?
The InChIKey is HBGPSTWVYFQCLR-CQSZACIVSA-N. The full InChI is InChI=1S/C11H25NOS/c1-7-11(8-2,9-3)12-14(13)10(4,5)6/h12H,7-9H2,1-6H3/t14-/m1/s1.
What are the key properties of (R)-N-(3-ethylpentan-3-yl)-2-methylpropane-2-sulfinamide?
(R)-N-(3-ethylpentan-3-yl)-2-methylpropane-2-sulfinamide has a molecular weight of 219.39 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-(3-ethylpentan-3-yl)-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 154599897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).