N-(3-amino-3-sulfanylidenepropyl)-2-methyl-N-(2,4,4-trimethylpentan-2-yl)propanamide

C15H30N2OS — CID 82104144

IUPACN-(3-amino-3-sulfanylidenepropyl)-2-methyl-N-(2,4,4-trimethylpentan-2-yl)propanamide
SMILESCC(C)C(=O)N(CCC(N)=S)C(C)(C)CC(C)(C)C
InChIInChI=1S/C15H30N2OS/c1-11(2)13(18)17(9-8-12(16)19)15(6,7)10-14(3,4)5/h11H,8-10H2,1-7H3,(H2,16,19)
InChIKeyRBUKIQBJQMQZTJ-UHFFFAOYSA-N
MW286.49 g/mol
LogP3.36
Rot. Bonds6

About N-(3-amino-3-sulfanylidenepropyl)-2-methyl-N-(2,4,4-trimethylpentan-2-yl)propanamide

N-(3-amino-3-sulfanylidenepropyl)-2-methyl-N-(2,4,4-trimethylpentan-2-yl)propanamide (PubChem CID 82104144) has the molecular formula C15H30N2OS and a molecular weight of 286.49 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-2-methyl-N-(2,4,4-trimethylpentan-2-yl)propanamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-2-methyl-N-(2,4,4-trimethylpentan-2-yl)propanamide
PubChem CID82104144
Molecular FormulaC15H30N2OS
Molecular Weight286.49 g/mol
Exact Mass286.21
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-2-methyl-N-(2,4,4-trimethylpentan-2-yl)propanamide
SMILESCC(C)C(=O)N(CCC(N)=S)C(C)(C)CC(C)(C)C
InChIInChI=1S/C15H30N2OS/c1-11(2)13(18)17(9-8-12(16)19)15(6,7)10-14(3,4)5/h11H,8-10H2,1-7H3,(H2,16,19)
InChIKeyRBUKIQBJQMQZTJ-UHFFFAOYSA-N
XLogP3.36
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.49
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-3-sulfanylidenepropyl)-N-tert-butylacetamide
CID 82103606
N-(3-amino-3-sulfanylidenepropyl)-N-tert-butyl-2,2-dimethylpropanamide
CID 82103611
2-chloro-N-(2-cyanoethyl)-N-(2,4,4-trimethylpentan-2-yl)propanamide
CID 82102616
N-(3-amino-3-sulfanylidenepropyl)-2-cyclopropyl-N-(2-methylpropyl)propanamide
CID 83154407
N-(3-amino-3-sulfanylidenepropyl)-N,3,4,4-tetramethylpentanamide
CID 63833793
N-(3-amino-3-sulfanylidenepropyl)-N-(3-ethoxypropyl)-2-methylpropanamide
CID 82104101
N-(3-amino-3-sulfanylidenepropyl)-2-ethyl-N-(3-methylbutyl)butanamide
CID 82104235
2-[(3-amino-3-sulfanylidenepropyl)-cyclopropylamino]-N-tert-butylpropanamide
CID 54997777
3-[(3-amino-3-sulfanylidenepropyl)-methylamino]-2,2-dimethylpropanoic acid
CID 79624610
3-[methyl(2-methylbutan-2-yl)amino]propanethioamide
CID 63983386
3-[tert-butylsulfamoyl(2-methylpropyl)amino]propanethioamide
CID 114808235
N-(3-amino-3-sulfanylidenepropyl)-N-(3-methylbutyl)butanamide
CID 82104231

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-2-methyl-N-(2,4,4-trimethylpentan-2-yl)propanamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-2-methyl-N-(2,4,4-trimethylpentan-2-yl)propanamide (CID 82104144) is N-(3-amino-3-sulfanylidenepropyl)-2-methyl-N-(2,4,4-trimethylpentan-2-yl)propanamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-2-methyl-N-(2,4,4-trimethylpentan-2-yl)propanamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-2-methyl-N-(2,4,4-trimethylpentan-2-yl)propanamide is CC(C)C(=O)N(CCC(N)=S)C(C)(C)CC(C)(C)C.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-2-methyl-N-(2,4,4-trimethylpentan-2-yl)propanamide?
The InChIKey is RBUKIQBJQMQZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2OS/c1-11(2)13(18)17(9-8-12(16)19)15(6,7)10-14(3,4)5/h11H,8-10H2,1-7H3,(H2,16,19).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-2-methyl-N-(2,4,4-trimethylpentan-2-yl)propanamide?
N-(3-amino-3-sulfanylidenepropyl)-2-methyl-N-(2,4,4-trimethylpentan-2-yl)propanamide has a molecular weight of 286.49 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-sulfanylidenepropyl)-2-methyl-N-(2,4,4-trimethylpentan-2-yl)propanamide is sourced from PubChem (CID 82104144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).