2-methyl-N-pent-3-yn-2-ylpropane-2-sulfinamide

C9H17NOS — CID 87354534

IUPAC2-methyl-N-pent-3-yn-2-ylpropane-2-sulfinamide
SMILESCC#CC(C)NS(=O)C(C)(C)C
InChIInChI=1S/C9H17NOS/c1-6-7-8(2)10-12(11)9(3,4)5/h8,10H,1-5H3
InChIKeyPKDWRGODHXFOCA-UHFFFAOYSA-N
MW187.31 g/mol
LogP1.45
Rot. Bonds2

About 2-methyl-N-pent-3-yn-2-ylpropane-2-sulfinamide

2-methyl-N-pent-3-yn-2-ylpropane-2-sulfinamide (PubChem CID 87354534) has the molecular formula C9H17NOS and a molecular weight of 187.31 g/mol. Its IUPAC name is 2-methyl-N-pent-3-yn-2-ylpropane-2-sulfinamide.

Molecular Properties

Compound Name2-methyl-N-pent-3-yn-2-ylpropane-2-sulfinamide
PubChem CID87354534
Molecular FormulaC9H17NOS
Molecular Weight187.31 g/mol
Exact Mass187.10
IUPAC Name2-methyl-N-pent-3-yn-2-ylpropane-2-sulfinamide
SMILESCC#CC(C)NS(=O)C(C)(C)C
InChIInChI=1S/C9H17NOS/c1-6-7-8(2)10-12(11)9(3,4)5/h8,10H,1-5H3
InChIKeyPKDWRGODHXFOCA-UHFFFAOYSA-N
XLogP1.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.31
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-pent-3-yn-2-ylpropane-2-sulfinamide?
The IUPAC name of 2-methyl-N-pent-3-yn-2-ylpropane-2-sulfinamide (CID 87354534) is 2-methyl-N-pent-3-yn-2-ylpropane-2-sulfinamide.
What is the SMILES notation for 2-methyl-N-pent-3-yn-2-ylpropane-2-sulfinamide?
The canonical SMILES for 2-methyl-N-pent-3-yn-2-ylpropane-2-sulfinamide is CC#CC(C)NS(=O)C(C)(C)C.
What is the InChIKey of 2-methyl-N-pent-3-yn-2-ylpropane-2-sulfinamide?
The InChIKey is PKDWRGODHXFOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NOS/c1-6-7-8(2)10-12(11)9(3,4)5/h8,10H,1-5H3.
What are the key properties of 2-methyl-N-pent-3-yn-2-ylpropane-2-sulfinamide?
2-methyl-N-pent-3-yn-2-ylpropane-2-sulfinamide has a molecular weight of 187.31 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-pent-3-yn-2-ylpropane-2-sulfinamide is sourced from PubChem (CID 87354534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).