N-[1-(tert-butylamino)-3-methyl-1-sulfanylidenebutan-2-yl]-N-methylacetamide

C12H24N2OS — CID 2771440

IUPACN-[1-(tert-butylamino)-3-methyl-1-sulfanylidenebutan-2-yl]-N-methylacetamide
SMILESCC(=O)N(C)C(C(=S)NC(C)(C)C)C(C)C
InChIInChI=1S/C12H24N2OS/c1-8(2)10(14(7)9(3)15)11(16)13-12(4,5)6/h8,10H,1-7H3,(H,13,16)
InChIKeyNKTFARLWKIMRQP-UHFFFAOYSA-N
MW244.40 g/mol
LogP2.20
Rot. Bonds3

About N-[1-(tert-butylamino)-3-methyl-1-sulfanylidenebutan-2-yl]-N-methylacetamide

N-[1-(tert-butylamino)-3-methyl-1-sulfanylidenebutan-2-yl]-N-methylacetamide (PubChem CID 2771440) has the molecular formula C12H24N2OS and a molecular weight of 244.40 g/mol. Its IUPAC name is N-[1-(tert-butylamino)-3-methyl-1-sulfanylidenebutan-2-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[1-(tert-butylamino)-3-methyl-1-sulfanylidenebutan-2-yl]-N-methylacetamide
PubChem CID2771440
Molecular FormulaC12H24N2OS
Molecular Weight244.40 g/mol
Exact Mass244.16
IUPAC NameN-[1-(tert-butylamino)-3-methyl-1-sulfanylidenebutan-2-yl]-N-methylacetamide
SMILESCC(=O)N(C)C(C(=S)NC(C)(C)C)C(C)C
InChIInChI=1S/C12H24N2OS/c1-8(2)10(14(7)9(3)15)11(16)13-12(4,5)6/h8,10H,1-7H3,(H,13,16)
InChIKeyNKTFARLWKIMRQP-UHFFFAOYSA-N
XLogP2.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[1-(tert-butylamino)-3-methyl-1-sulfanylidenebutan-2-yl]-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(tert-butylamino)-3-methyl-1-sulfanylidenebutan-2-yl]-N-methylacetamide?
The IUPAC name of N-[1-(tert-butylamino)-3-methyl-1-sulfanylidenebutan-2-yl]-N-methylacetamide (CID 2771440) is N-[1-(tert-butylamino)-3-methyl-1-sulfanylidenebutan-2-yl]-N-methylacetamide.
What is the SMILES notation for N-[1-(tert-butylamino)-3-methyl-1-sulfanylidenebutan-2-yl]-N-methylacetamide?
The canonical SMILES for N-[1-(tert-butylamino)-3-methyl-1-sulfanylidenebutan-2-yl]-N-methylacetamide is CC(=O)N(C)C(C(=S)NC(C)(C)C)C(C)C.
What is the InChIKey of N-[1-(tert-butylamino)-3-methyl-1-sulfanylidenebutan-2-yl]-N-methylacetamide?
The InChIKey is NKTFARLWKIMRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2OS/c1-8(2)10(14(7)9(3)15)11(16)13-12(4,5)6/h8,10H,1-7H3,(H,13,16).
What are the key properties of N-[1-(tert-butylamino)-3-methyl-1-sulfanylidenebutan-2-yl]-N-methylacetamide?
N-[1-(tert-butylamino)-3-methyl-1-sulfanylidenebutan-2-yl]-N-methylacetamide has a molecular weight of 244.40 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(tert-butylamino)-3-methyl-1-sulfanylidenebutan-2-yl]-N-methylacetamide is sourced from PubChem (CID 2771440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).