2-methyl-N-(2-methylpent-4-en-2-yl)propane-2-sulfinamide

C10H21NOS — CID 164871272

IUPAC2-methyl-N-(2-methylpent-4-en-2-yl)propane-2-sulfinamide
SMILESC=CCC(C)(C)NS(=O)C(C)(C)C
InChIInChI=1S/C10H21NOS/c1-7-8-10(5,6)11-13(12)9(2,3)4/h7,11H,1,8H2,2-6H3
InChIKeyMNFSSCPBSLXFAE-UHFFFAOYSA-N
MW203.35 g/mol
LogP2.39
Rot. Bonds4

About 2-methyl-N-(2-methylpent-4-en-2-yl)propane-2-sulfinamide

2-methyl-N-(2-methylpent-4-en-2-yl)propane-2-sulfinamide (PubChem CID 164871272) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is 2-methyl-N-(2-methylpent-4-en-2-yl)propane-2-sulfinamide.

Molecular Properties

Compound Name2-methyl-N-(2-methylpent-4-en-2-yl)propane-2-sulfinamide
PubChem CID164871272
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name2-methyl-N-(2-methylpent-4-en-2-yl)propane-2-sulfinamide
SMILESC=CCC(C)(C)NS(=O)C(C)(C)C
InChIInChI=1S/C10H21NOS/c1-7-8-10(5,6)11-13(12)9(2,3)4/h7,11H,1,8H2,2-6H3
InChIKeyMNFSSCPBSLXFAE-UHFFFAOYSA-N
XLogP2.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylpent-4-en-2-yl)propane-2-sulfinamide?
The IUPAC name of 2-methyl-N-(2-methylpent-4-en-2-yl)propane-2-sulfinamide (CID 164871272) is 2-methyl-N-(2-methylpent-4-en-2-yl)propane-2-sulfinamide.
What is the SMILES notation for 2-methyl-N-(2-methylpent-4-en-2-yl)propane-2-sulfinamide?
The canonical SMILES for 2-methyl-N-(2-methylpent-4-en-2-yl)propane-2-sulfinamide is C=CCC(C)(C)NS(=O)C(C)(C)C.
What is the InChIKey of 2-methyl-N-(2-methylpent-4-en-2-yl)propane-2-sulfinamide?
The InChIKey is MNFSSCPBSLXFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-7-8-10(5,6)11-13(12)9(2,3)4/h7,11H,1,8H2,2-6H3.
What are the key properties of 2-methyl-N-(2-methylpent-4-en-2-yl)propane-2-sulfinamide?
2-methyl-N-(2-methylpent-4-en-2-yl)propane-2-sulfinamide has a molecular weight of 203.35 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylpent-4-en-2-yl)propane-2-sulfinamide is sourced from PubChem (CID 164871272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).