(NE)-N-(2,2-dimethylpropylidene)-2-methylpropane-2-sulfinamide

C9H19NOS — CID 11506602

IUPAC(NE)-N-(2,2-dimethylpropylidene)-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)/C=N/S(=O)C(C)(C)C
InChIInChI=1S/C9H19NOS/c1-8(2,3)7-10-12(11)9(4,5)6/h7H,1-6H3/b10-7+
InChIKeyKSDPTRLKNUQIOO-JXMROGBWSA-N
MW189.32 g/mol
LogP2.57
Rot. Bonds1

About (NE)-N-(2,2-dimethylpropylidene)-2-methylpropane-2-sulfinamide

(NE)-N-(2,2-dimethylpropylidene)-2-methylpropane-2-sulfinamide (PubChem CID 11506602) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is (NE)-N-(2,2-dimethylpropylidene)-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(NE)-N-(2,2-dimethylpropylidene)-2-methylpropane-2-sulfinamide
PubChem CID11506602
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC Name(NE)-N-(2,2-dimethylpropylidene)-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)/C=N/S(=O)C(C)(C)C
InChIInChI=1S/C9H19NOS/c1-8(2,3)7-10-12(11)9(4,5)6/h7H,1-6H3/b10-7+
InChIKeyKSDPTRLKNUQIOO-JXMROGBWSA-N
XLogP2.57
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 52.57
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 (NE)-N-(2,2-dimethylpropylidene)-2-methylpropane-2-sulfinamide?
The IUPAC name of (NE)-N-(2,2-dimethylpropylidene)-2-methylpropane-2-sulfinamide (CID 11506602) is (NE)-N-(2,2-dimethylpropylidene)-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (NE)-N-(2,2-dimethylpropylidene)-2-methylpropane-2-sulfinamide?
The canonical SMILES for (NE)-N-(2,2-dimethylpropylidene)-2-methylpropane-2-sulfinamide is CC(C)(C)/C=N/S(=O)C(C)(C)C.
What is the InChIKey of (NE)-N-(2,2-dimethylpropylidene)-2-methylpropane-2-sulfinamide?
The InChIKey is KSDPTRLKNUQIOO-JXMROGBWSA-N. The full InChI is InChI=1S/C9H19NOS/c1-8(2,3)7-10-12(11)9(4,5)6/h7H,1-6H3/b10-7+.
What are the key properties of (NE)-N-(2,2-dimethylpropylidene)-2-methylpropane-2-sulfinamide?
(NE)-N-(2,2-dimethylpropylidene)-2-methylpropane-2-sulfinamide has a molecular weight of 189.32 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(2,2-dimethylpropylidene)-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 11506602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).