(NE)-N-(1-chloropropan-2-ylidene)-2-methylpropane-2-sulfinamide

C7H14ClNOS — CID 177419638

IUPAC(NE)-N-(1-chloropropan-2-ylidene)-2-methylpropane-2-sulfinamide
SMILESC/C(CCl)=N\S(=O)C(C)(C)C
InChIInChI=1S/C7H14ClNOS/c1-6(5-8)9-11(10)7(2,3)4/h5H2,1-4H3/b9-6+
InChIKeyZZOKBJZBJFEPQK-RMKNXTFCSA-N
MW195.71 g/mol
LogP2.15
Rot. Bonds2

About (NE)-N-(1-chloropropan-2-ylidene)-2-methylpropane-2-sulfinamide

(NE)-N-(1-chloropropan-2-ylidene)-2-methylpropane-2-sulfinamide (PubChem CID 177419638) has the molecular formula C7H14ClNOS and a molecular weight of 195.71 g/mol. Its IUPAC name is (NE)-N-(1-chloropropan-2-ylidene)-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(NE)-N-(1-chloropropan-2-ylidene)-2-methylpropane-2-sulfinamide
PubChem CID177419638
Molecular FormulaC7H14ClNOS
Molecular Weight195.71 g/mol
Exact Mass195.05
IUPAC Name(NE)-N-(1-chloropropan-2-ylidene)-2-methylpropane-2-sulfinamide
SMILESC/C(CCl)=N\S(=O)C(C)(C)C
InChIInChI=1S/C7H14ClNOS/c1-6(5-8)9-11(10)7(2,3)4/h5H2,1-4H3/b9-6+
InChIKeyZZOKBJZBJFEPQK-RMKNXTFCSA-N
XLogP2.15
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.71
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (NE)-N-(1-chloropropan-2-ylidene)-2-methylpropane-2-sulfinamide?
The IUPAC name of (NE)-N-(1-chloropropan-2-ylidene)-2-methylpropane-2-sulfinamide (CID 177419638) is (NE)-N-(1-chloropropan-2-ylidene)-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (NE)-N-(1-chloropropan-2-ylidene)-2-methylpropane-2-sulfinamide?
The canonical SMILES for (NE)-N-(1-chloropropan-2-ylidene)-2-methylpropane-2-sulfinamide is C/C(CCl)=N\S(=O)C(C)(C)C.
What is the InChIKey of (NE)-N-(1-chloropropan-2-ylidene)-2-methylpropane-2-sulfinamide?
The InChIKey is ZZOKBJZBJFEPQK-RMKNXTFCSA-N. The full InChI is InChI=1S/C7H14ClNOS/c1-6(5-8)9-11(10)7(2,3)4/h5H2,1-4H3/b9-6+.
What are the key properties of (NE)-N-(1-chloropropan-2-ylidene)-2-methylpropane-2-sulfinamide?
(NE)-N-(1-chloropropan-2-ylidene)-2-methylpropane-2-sulfinamide has a molecular weight of 195.71 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(1-chloropropan-2-ylidene)-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 177419638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).