N-tert-butyl-2-[tert-butyl(sulfanyl)amino]-2-methylpropanamide

C12H26N2OS — CID 143193636

IUPACN-tert-butyl-2-[tert-butyl(sulfanyl)amino]-2-methylpropanamide
SMILESCC(C)(C)NC(=O)C(C)(C)N(S)C(C)(C)C
InChIInChI=1S/C12H26N2OS/c1-10(2,3)13-9(15)12(7,8)14(16)11(4,5)6/h16H,1-8H3,(H,13,15)
InChIKeyGZSYJICCSWJOSO-UHFFFAOYSA-N
MW246.42 g/mol
LogP2.62
Rot. Bonds2

About N-tert-butyl-2-[tert-butyl(sulfanyl)amino]-2-methylpropanamide

N-tert-butyl-2-[tert-butyl(sulfanyl)amino]-2-methylpropanamide (PubChem CID 143193636) has the molecular formula C12H26N2OS and a molecular weight of 246.42 g/mol. Its IUPAC name is N-tert-butyl-2-[tert-butyl(sulfanyl)amino]-2-methylpropanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[tert-butyl(sulfanyl)amino]-2-methylpropanamide
PubChem CID143193636
Molecular FormulaC12H26N2OS
Molecular Weight246.42 g/mol
Exact Mass246.18
IUPAC NameN-tert-butyl-2-[tert-butyl(sulfanyl)amino]-2-methylpropanamide
SMILESCC(C)(C)NC(=O)C(C)(C)N(S)C(C)(C)C
InChIInChI=1S/C12H26N2OS/c1-10(2,3)13-9(15)12(7,8)14(16)11(4,5)6/h16H,1-8H3,(H,13,15)
InChIKeyGZSYJICCSWJOSO-UHFFFAOYSA-N
XLogP2.62
TPSA32.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.42
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[tert-butyl(sulfanyl)amino]-2-methylpropanamide?
The IUPAC name of N-tert-butyl-2-[tert-butyl(sulfanyl)amino]-2-methylpropanamide (CID 143193636) is N-tert-butyl-2-[tert-butyl(sulfanyl)amino]-2-methylpropanamide.
What is the SMILES notation for N-tert-butyl-2-[tert-butyl(sulfanyl)amino]-2-methylpropanamide?
The canonical SMILES for N-tert-butyl-2-[tert-butyl(sulfanyl)amino]-2-methylpropanamide is CC(C)(C)NC(=O)C(C)(C)N(S)C(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[tert-butyl(sulfanyl)amino]-2-methylpropanamide?
The InChIKey is GZSYJICCSWJOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2OS/c1-10(2,3)13-9(15)12(7,8)14(16)11(4,5)6/h16H,1-8H3,(H,13,15).
What are the key properties of N-tert-butyl-2-[tert-butyl(sulfanyl)amino]-2-methylpropanamide?
N-tert-butyl-2-[tert-butyl(sulfanyl)amino]-2-methylpropanamide has a molecular weight of 246.42 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[tert-butyl(sulfanyl)amino]-2-methylpropanamide is sourced from PubChem (CID 143193636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).