2-(aminocarbamothioylamino)-3-methylbutanamide

C6H14N4OS — CID 106346207

IUPAC2-(aminocarbamothioylamino)-3-methylbutanamide
SMILESCC(C)C(NC(=S)NN)C(N)=O
InChIInChI=1S/C6H14N4OS/c1-3(2)4(5(7)11)9-6(12)10-8/h3-4H,8H2,1-2H3,(H2,7,11)(H2,9,10,12)
InChIKeySLFVCKOAVSCLAQ-UHFFFAOYSA-N
MW190.27 g/mol
LogP-1.17
Rot. Bonds3

About 2-(aminocarbamothioylamino)-3-methylbutanamide

2-(aminocarbamothioylamino)-3-methylbutanamide (PubChem CID 106346207) has the molecular formula C6H14N4OS and a molecular weight of 190.27 g/mol. Its IUPAC name is 2-(aminocarbamothioylamino)-3-methylbutanamide.

Molecular Properties

Compound Name2-(aminocarbamothioylamino)-3-methylbutanamide
PubChem CID106346207
Molecular FormulaC6H14N4OS
Molecular Weight190.27 g/mol
Exact Mass190.09
IUPAC Name2-(aminocarbamothioylamino)-3-methylbutanamide
SMILESCC(C)C(NC(=S)NN)C(N)=O
InChIInChI=1S/C6H14N4OS/c1-3(2)4(5(7)11)9-6(12)10-8/h3-4H,8H2,1-2H3,(H2,7,11)(H2,9,10,12)
InChIKeySLFVCKOAVSCLAQ-UHFFFAOYSA-N
XLogP-1.17
TPSA93.17 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 5-1.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

3-methyl-2-(propan-2-ylcarbamothioylamino)butanamide
CID 106344675
2-(cyclopentylcarbamothioylamino)-3-methylbutanamide
CID 106344676
2-(butylcarbamothioylamino)-3-methylbutanamide
CID 106344679
(2R)-2-acetamido-3-methylbutanamide
CID 40561650
N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-carbamothioyl-3-methylbutanamide
CID 106345624
N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-carbamothioylcyclopropane-1-carboxamide
CID 106345625
(2S)-3-methyl-2-(propanoylamino)butanamide
CID 90831361
3-methyl-2-(propanoylamino)butanamide
CID 22574980
2-(2-aminopropanoylamino)-3-methylbutanamide
CID 22282408
(2S)-3-methyl-2-(methylamino)butanamide;hydrochloride
CID 87874249
3-methyl-2-(sulfanylamino)butanamide
CID 166473642
2-[(2-bromo-2-methylpropanoyl)amino]-3-methylbutanamide
CID 106344655

Frequently Asked Questions

What is the IUPAC name of 2-(aminocarbamothioylamino)-3-methylbutanamide?
The IUPAC name of 2-(aminocarbamothioylamino)-3-methylbutanamide (CID 106346207) is 2-(aminocarbamothioylamino)-3-methylbutanamide.
What is the SMILES notation for 2-(aminocarbamothioylamino)-3-methylbutanamide?
The canonical SMILES for 2-(aminocarbamothioylamino)-3-methylbutanamide is CC(C)C(NC(=S)NN)C(N)=O.
What is the InChIKey of 2-(aminocarbamothioylamino)-3-methylbutanamide?
The InChIKey is SLFVCKOAVSCLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4OS/c1-3(2)4(5(7)11)9-6(12)10-8/h3-4H,8H2,1-2H3,(H2,7,11)(H2,9,10,12).
What are the key properties of 2-(aminocarbamothioylamino)-3-methylbutanamide?
2-(aminocarbamothioylamino)-3-methylbutanamide has a molecular weight of 190.27 g/mol, XLogP of -1.17, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminocarbamothioylamino)-3-methylbutanamide is sourced from PubChem (CID 106346207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).