(R)-N-(1-cyclopropylethylidene)-2-methylpropane-2-sulfinamide

C9H17NOS — CID 90402650

IUPAC(R)-N-(1-cyclopropylethylidene)-2-methylpropane-2-sulfinamide
SMILESCC(=N[S@](=O)C(C)(C)C)C1CC1
InChIInChI=1S/C9H17NOS/c1-7(8-5-6-8)10-12(11)9(2,3)4/h8H,5-6H2,1-4H3/t12-/m1/s1
InChIKeyVNQGJYYFNVSDFU-GFCCVEGCSA-N
MW187.31 g/mol
LogP2.32
Rot. Bonds2

About (R)-N-(1-cyclopropylethylidene)-2-methylpropane-2-sulfinamide

(R)-N-(1-cyclopropylethylidene)-2-methylpropane-2-sulfinamide (PubChem CID 90402650) has the molecular formula C9H17NOS and a molecular weight of 187.31 g/mol. Its IUPAC name is (R)-N-(1-cyclopropylethylidene)-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-(1-cyclopropylethylidene)-2-methylpropane-2-sulfinamide
PubChem CID90402650
Molecular FormulaC9H17NOS
Molecular Weight187.31 g/mol
Exact Mass187.10
IUPAC Name(R)-N-(1-cyclopropylethylidene)-2-methylpropane-2-sulfinamide
SMILESCC(=N[S@](=O)C(C)(C)C)C1CC1
InChIInChI=1S/C9H17NOS/c1-7(8-5-6-8)10-12(11)9(2,3)4/h8H,5-6H2,1-4H3/t12-/m1/s1
InChIKeyVNQGJYYFNVSDFU-GFCCVEGCSA-N
XLogP2.32
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.31
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (R)-N-(1-cyclopropylethylidene)-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-(1-cyclopropylethylidene)-2-methylpropane-2-sulfinamide (CID 90402650) is (R)-N-(1-cyclopropylethylidene)-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-(1-cyclopropylethylidene)-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-(1-cyclopropylethylidene)-2-methylpropane-2-sulfinamide is CC(=N[S@](=O)C(C)(C)C)C1CC1.
What is the InChIKey of (R)-N-(1-cyclopropylethylidene)-2-methylpropane-2-sulfinamide?
The InChIKey is VNQGJYYFNVSDFU-GFCCVEGCSA-N. The full InChI is InChI=1S/C9H17NOS/c1-7(8-5-6-8)10-12(11)9(2,3)4/h8H,5-6H2,1-4H3/t12-/m1/s1.
What are the key properties of (R)-N-(1-cyclopropylethylidene)-2-methylpropane-2-sulfinamide?
(R)-N-(1-cyclopropylethylidene)-2-methylpropane-2-sulfinamide has a molecular weight of 187.31 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-(1-cyclopropylethylidene)-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 90402650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).