(R)-N-[(5-chloro-2-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide

C10H13ClN2OS — CID 138110985

IUPAC(R)-N-[(5-chloro-2-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N=Cc1ccc(Cl)cn1
InChIInChI=1S/C10H13ClN2OS/c1-10(2,3)15(14)13-7-9-5-4-8(11)6-12-9/h4-7H,1-3H3/t15-/m1/s1
InChIKeyKUCQUPHAVIWWPZ-OAHLLOKOSA-N
MW244.75 g/mol
LogP2.62
Rot. Bonds2

About (R)-N-[(5-chloro-2-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide

(R)-N-[(5-chloro-2-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide (PubChem CID 138110985) has the molecular formula C10H13ClN2OS and a molecular weight of 244.75 g/mol. Its IUPAC name is (R)-N-[(5-chloro-2-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(5-chloro-2-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide
PubChem CID138110985
Molecular FormulaC10H13ClN2OS
Molecular Weight244.75 g/mol
Exact Mass244.04
IUPAC Name(R)-N-[(5-chloro-2-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N=Cc1ccc(Cl)cn1
InChIInChI=1S/C10H13ClN2OS/c1-10(2,3)15(14)13-7-9-5-4-8(11)6-12-9/h4-7H,1-3H3/t15-/m1/s1
InChIKeyKUCQUPHAVIWWPZ-OAHLLOKOSA-N
XLogP2.62
TPSA42.32 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.75
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[(5-chloro-2-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(5-chloro-2-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide (CID 138110985) is (R)-N-[(5-chloro-2-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(5-chloro-2-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(5-chloro-2-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide is CC(C)(C)[S@@](=O)N=Cc1ccc(Cl)cn1.
What is the InChIKey of (R)-N-[(5-chloro-2-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is KUCQUPHAVIWWPZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C10H13ClN2OS/c1-10(2,3)15(14)13-7-9-5-4-8(11)6-12-9/h4-7H,1-3H3/t15-/m1/s1.
What are the key properties of (R)-N-[(5-chloro-2-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide?
(R)-N-[(5-chloro-2-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 244.75 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(5-chloro-2-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 138110985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).