N-(1-amino-1-sulfanylidenepropan-2-yl)-2,2-dimethylpropanamide

C8H16N2OS — CID 61119877

IUPACN-(1-amino-1-sulfanylidenepropan-2-yl)-2,2-dimethylpropanamide
SMILESCC(NC(=O)C(C)(C)C)C(N)=S
InChIInChI=1S/C8H16N2OS/c1-5(6(9)12)10-7(11)8(2,3)4/h5H,1-4H3,(H2,9,12)(H,10,11)
InChIKeyXJJVLKAOGZWFKV-UHFFFAOYSA-N
MW188.30 g/mol
LogP0.82
Rot. Bonds2

About N-(1-amino-1-sulfanylidenepropan-2-yl)-2,2-dimethylpropanamide

N-(1-amino-1-sulfanylidenepropan-2-yl)-2,2-dimethylpropanamide (PubChem CID 61119877) has the molecular formula C8H16N2OS and a molecular weight of 188.30 g/mol. Its IUPAC name is N-(1-amino-1-sulfanylidenepropan-2-yl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(1-amino-1-sulfanylidenepropan-2-yl)-2,2-dimethylpropanamide
PubChem CID61119877
Molecular FormulaC8H16N2OS
Molecular Weight188.30 g/mol
Exact Mass188.10
IUPAC NameN-(1-amino-1-sulfanylidenepropan-2-yl)-2,2-dimethylpropanamide
SMILESCC(NC(=O)C(C)(C)C)C(N)=S
InChIInChI=1S/C8H16N2OS/c1-5(6(9)12)10-7(11)8(2,3)4/h5H,1-4H3,(H2,9,12)(H,10,11)
InChIKeyXJJVLKAOGZWFKV-UHFFFAOYSA-N
XLogP0.82
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.30
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S)-2-(2,2-dimethylpropanoylamino)propanoate
CID 7024878
tert-butyl (2R)-2-(2,2-dimethylpropanoylamino)propanoate
CID 81004146
N-(1-amino-1-sulfanylidenepentan-2-yl)-2,2-dimethylpropanamide
CID 61121494
2,2-dimethyl-N-[(2S)-3-oxopentan-2-yl]propanamide
CID 126726603
N-[1-(dimethylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 60730592
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2,2-dimethylpropanamide
CID 62667449
2,2-dimethyl-N-[1-[(2-methylpropan-2-yl)oxyamino]-1-oxopropan-2-yl]propanamide
CID 82724608
(4,4-dimethyl-3-oxopentan-2-yl)urea
CID 58728668
N-(1-amino-1-sulfanylidenepropan-2-yl)-3,3,3-trifluoropropanamide
CID 61121055
methyl (2S)-2-[(2-amino-2-methylpropanoyl)amino]propanoate
CID 61265011
N-[1-(3-aminobutylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide;hydrochloride
CID 119498705
3-amino-N-(3,3-dimethylbutan-2-yl)-2,2-dimethyl-3-sulfanylidenepropanamide
CID 104828391

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-sulfanylidenepropan-2-yl)-2,2-dimethylpropanamide?
The IUPAC name of N-(1-amino-1-sulfanylidenepropan-2-yl)-2,2-dimethylpropanamide (CID 61119877) is N-(1-amino-1-sulfanylidenepropan-2-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(1-amino-1-sulfanylidenepropan-2-yl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(1-amino-1-sulfanylidenepropan-2-yl)-2,2-dimethylpropanamide is CC(NC(=O)C(C)(C)C)C(N)=S.
What is the InChIKey of N-(1-amino-1-sulfanylidenepropan-2-yl)-2,2-dimethylpropanamide?
The InChIKey is XJJVLKAOGZWFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2OS/c1-5(6(9)12)10-7(11)8(2,3)4/h5H,1-4H3,(H2,9,12)(H,10,11).
What are the key properties of N-(1-amino-1-sulfanylidenepropan-2-yl)-2,2-dimethylpropanamide?
N-(1-amino-1-sulfanylidenepropan-2-yl)-2,2-dimethylpropanamide has a molecular weight of 188.30 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-sulfanylidenepropan-2-yl)-2,2-dimethylpropanamide is sourced from PubChem (CID 61119877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).