N-methoxy-N,2,2,4-tetramethyl-4-sulfanylpentanamide

C10H21NO2S — CID 143976029

IUPACN-methoxy-N,2,2,4-tetramethyl-4-sulfanylpentanamide
SMILESCON(C)C(=O)C(C)(C)CC(C)(C)S
InChIInChI=1S/C10H21NO2S/c1-9(2,7-10(3,4)14)8(12)11(5)13-6/h14H,7H2,1-6H3
InChIKeyQATBYQLBUWARTP-UHFFFAOYSA-N
MW219.35 g/mol
LogP2.13
Rot. Bonds4

About N-methoxy-N,2,2,4-tetramethyl-4-sulfanylpentanamide

N-methoxy-N,2,2,4-tetramethyl-4-sulfanylpentanamide (PubChem CID 143976029) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is N-methoxy-N,2,2,4-tetramethyl-4-sulfanylpentanamide.

Molecular Properties

Compound NameN-methoxy-N,2,2,4-tetramethyl-4-sulfanylpentanamide
PubChem CID143976029
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC NameN-methoxy-N,2,2,4-tetramethyl-4-sulfanylpentanamide
SMILESCON(C)C(=O)C(C)(C)CC(C)(C)S
InChIInChI=1S/C10H21NO2S/c1-9(2,7-10(3,4)14)8(12)11(5)13-6/h14H,7H2,1-6H3
InChIKeyQATBYQLBUWARTP-UHFFFAOYSA-N
XLogP2.13
TPSA29.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-N,2,2,4-tetramethyl-4-sulfanylpentanamide?
The IUPAC name of N-methoxy-N,2,2,4-tetramethyl-4-sulfanylpentanamide (CID 143976029) is N-methoxy-N,2,2,4-tetramethyl-4-sulfanylpentanamide.
What is the SMILES notation for N-methoxy-N,2,2,4-tetramethyl-4-sulfanylpentanamide?
The canonical SMILES for N-methoxy-N,2,2,4-tetramethyl-4-sulfanylpentanamide is CON(C)C(=O)C(C)(C)CC(C)(C)S.
What is the InChIKey of N-methoxy-N,2,2,4-tetramethyl-4-sulfanylpentanamide?
The InChIKey is QATBYQLBUWARTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-9(2,7-10(3,4)14)8(12)11(5)13-6/h14H,7H2,1-6H3.
What are the key properties of N-methoxy-N,2,2,4-tetramethyl-4-sulfanylpentanamide?
N-methoxy-N,2,2,4-tetramethyl-4-sulfanylpentanamide has a molecular weight of 219.35 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N,2,2,4-tetramethyl-4-sulfanylpentanamide is sourced from PubChem (CID 143976029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).