3-amino-N-(tert-butyl-methyl-oxo-λ6-sulfanylidene)propanamide

C8H18N2O2S — CID 176746813

IUPAC3-amino-N-(tert-butyl-methyl-oxo-λ6-sulfanylidene)propanamide
SMILESCC(C)(C)S(C)(=O)=NC(=O)CCN
InChIInChI=1S/C8H18N2O2S/c1-8(2,3)13(4,12)10-7(11)5-6-9/h5-6,9H2,1-4H3
InChIKeyFLDLMMGQWANIKU-UHFFFAOYSA-N
MW206.31 g/mol
LogP0.76
Rot. Bonds2

About 3-amino-N-(tert-butyl-methyl-oxo-λ6-sulfanylidene)propanamide

3-amino-N-(tert-butyl-methyl-oxo-λ6-sulfanylidene)propanamide (PubChem CID 176746813) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 3-amino-N-(tert-butyl-methyl-oxo-λ6-sulfanylidene)propanamide.

Molecular Properties

Compound Name3-amino-N-(tert-butyl-methyl-oxo-λ6-sulfanylidene)propanamide
PubChem CID176746813
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC Name3-amino-N-(tert-butyl-methyl-oxo-λ6-sulfanylidene)propanamide
SMILESCC(C)(C)S(C)(=O)=NC(=O)CCN
InChIInChI=1S/C8H18N2O2S/c1-8(2,3)13(4,12)10-7(11)5-6-9/h5-6,9H2,1-4H3
InChIKeyFLDLMMGQWANIKU-UHFFFAOYSA-N
XLogP0.76
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-methylidenepropanamide
CID 154535645
3-amino-N-methylsulfonylpropanamide
CID 14028235
ethane-1,2-diamine;methanesulfonic acid
CID 161046577
1-amino-5-tert-butylsulfonyl-2-methylpentan-3-one
CID 106736334
2-aminoethanol;methylsulfonylmethane
CID 174641352
(amino-methyl-oxo-λ6-sulfanylidene)carbamic acid
CID 174230640
2-[ethyl(sulfamoyl)amino]-2-methylpropanoic acid
CID 114958849
3-tert-butylsulfonylpropanethioic S-acid
CID 88748629
2-(2-tert-butylsulfonylethylsulfonyl)ethanamine
CID 106735655
2-aminoethylsulfonyl 2,2-diaminopropanoate
CID 87807232
5-amino-N-(2-methyl-2-methylsulfonylpropyl)pentanamide
CID 79550040
butane-1,4-diamine;methanesulfonic acid
CID 160759082

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(tert-butyl-methyl-oxo-λ6-sulfanylidene)propanamide?
The IUPAC name of 3-amino-N-(tert-butyl-methyl-oxo-λ6-sulfanylidene)propanamide (CID 176746813) is 3-amino-N-(tert-butyl-methyl-oxo-λ6-sulfanylidene)propanamide.
What is the SMILES notation for 3-amino-N-(tert-butyl-methyl-oxo-λ6-sulfanylidene)propanamide?
The canonical SMILES for 3-amino-N-(tert-butyl-methyl-oxo-λ6-sulfanylidene)propanamide is CC(C)(C)S(C)(=O)=NC(=O)CCN.
What is the InChIKey of 3-amino-N-(tert-butyl-methyl-oxo-λ6-sulfanylidene)propanamide?
The InChIKey is FLDLMMGQWANIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-8(2,3)13(4,12)10-7(11)5-6-9/h5-6,9H2,1-4H3.
What are the key properties of 3-amino-N-(tert-butyl-methyl-oxo-λ6-sulfanylidene)propanamide?
3-amino-N-(tert-butyl-methyl-oxo-λ6-sulfanylidene)propanamide has a molecular weight of 206.31 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(tert-butyl-methyl-oxo-λ6-sulfanylidene)propanamide is sourced from PubChem (CID 176746813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).