N-(4-amino-4-sulfanylidenebutan-2-yl)-2-cyclobutyl-N-methylacetamide

C11H20N2OS — CID 103163701

IUPACN-(4-amino-4-sulfanylidenebutan-2-yl)-2-cyclobutyl-N-methylacetamide
SMILESCC(CC(N)=S)N(C)C(=O)CC1CCC1
InChIInChI=1S/C11H20N2OS/c1-8(6-10(12)15)13(2)11(14)7-9-4-3-5-9/h8-9H,3-7H2,1-2H3,(H2,12,15)
InChIKeyDBLOTLIUONGOOY-UHFFFAOYSA-N
MW228.36 g/mol
LogP1.70
Rot. Bonds5

About N-(4-amino-4-sulfanylidenebutan-2-yl)-2-cyclobutyl-N-methylacetamide

N-(4-amino-4-sulfanylidenebutan-2-yl)-2-cyclobutyl-N-methylacetamide (PubChem CID 103163701) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is N-(4-amino-4-sulfanylidenebutan-2-yl)-2-cyclobutyl-N-methylacetamide.

Molecular Properties

Compound NameN-(4-amino-4-sulfanylidenebutan-2-yl)-2-cyclobutyl-N-methylacetamide
PubChem CID103163701
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC NameN-(4-amino-4-sulfanylidenebutan-2-yl)-2-cyclobutyl-N-methylacetamide
SMILESCC(CC(N)=S)N(C)C(=O)CC1CCC1
InChIInChI=1S/C11H20N2OS/c1-8(6-10(12)15)13(2)11(14)7-9-4-3-5-9/h8-9H,3-7H2,1-2H3,(H2,12,15)
InChIKeyDBLOTLIUONGOOY-UHFFFAOYSA-N
XLogP1.70
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-4-sulfanylidenebutan-2-yl)-2-cyclobutyl-N-methylacetamide?
The IUPAC name of N-(4-amino-4-sulfanylidenebutan-2-yl)-2-cyclobutyl-N-methylacetamide (CID 103163701) is N-(4-amino-4-sulfanylidenebutan-2-yl)-2-cyclobutyl-N-methylacetamide.
What is the SMILES notation for N-(4-amino-4-sulfanylidenebutan-2-yl)-2-cyclobutyl-N-methylacetamide?
The canonical SMILES for N-(4-amino-4-sulfanylidenebutan-2-yl)-2-cyclobutyl-N-methylacetamide is CC(CC(N)=S)N(C)C(=O)CC1CCC1.
What is the InChIKey of N-(4-amino-4-sulfanylidenebutan-2-yl)-2-cyclobutyl-N-methylacetamide?
The InChIKey is DBLOTLIUONGOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-8(6-10(12)15)13(2)11(14)7-9-4-3-5-9/h8-9H,3-7H2,1-2H3,(H2,12,15).
What are the key properties of N-(4-amino-4-sulfanylidenebutan-2-yl)-2-cyclobutyl-N-methylacetamide?
N-(4-amino-4-sulfanylidenebutan-2-yl)-2-cyclobutyl-N-methylacetamide has a molecular weight of 228.36 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-4-sulfanylidenebutan-2-yl)-2-cyclobutyl-N-methylacetamide is sourced from PubChem (CID 103163701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).