2-(carbamothioylamino)-2,3-dimethylbutanamide

C7H15N3OS — CID 126978502

IUPAC2-(carbamothioylamino)-2,3-dimethylbutanamide
SMILESCC(C)C(C)(NC(N)=S)C(N)=O
InChIInChI=1S/C7H15N3OS/c1-4(2)7(3,5(8)11)10-6(9)12/h4H,1-3H3,(H2,8,11)(H3,9,10,12)
InChIKeyVCXJMASBHPVTMM-UHFFFAOYSA-N
MW189.28 g/mol
LogP-0.28
Rot. Bonds3

About 2-(carbamothioylamino)-2,3-dimethylbutanamide

2-(carbamothioylamino)-2,3-dimethylbutanamide (PubChem CID 126978502) has the molecular formula C7H15N3OS and a molecular weight of 189.28 g/mol. Its IUPAC name is 2-(carbamothioylamino)-2,3-dimethylbutanamide.

Molecular Properties

Compound Name2-(carbamothioylamino)-2,3-dimethylbutanamide
PubChem CID126978502
Molecular FormulaC7H15N3OS
Molecular Weight189.28 g/mol
Exact Mass189.09
IUPAC Name2-(carbamothioylamino)-2,3-dimethylbutanamide
SMILESCC(C)C(C)(NC(N)=S)C(N)=O
InChIInChI=1S/C7H15N3OS/c1-4(2)7(3,5(8)11)10-6(9)12/h4H,1-3H3,(H2,8,11)(H3,9,10,12)
InChIKeyVCXJMASBHPVTMM-UHFFFAOYSA-N
XLogP-0.28
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(carbamothioylamino)-2,3-dimethylbutanamide?
The IUPAC name of 2-(carbamothioylamino)-2,3-dimethylbutanamide (CID 126978502) is 2-(carbamothioylamino)-2,3-dimethylbutanamide.
What is the SMILES notation for 2-(carbamothioylamino)-2,3-dimethylbutanamide?
The canonical SMILES for 2-(carbamothioylamino)-2,3-dimethylbutanamide is CC(C)C(C)(NC(N)=S)C(N)=O.
What is the InChIKey of 2-(carbamothioylamino)-2,3-dimethylbutanamide?
The InChIKey is VCXJMASBHPVTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3OS/c1-4(2)7(3,5(8)11)10-6(9)12/h4H,1-3H3,(H2,8,11)(H3,9,10,12).
What are the key properties of 2-(carbamothioylamino)-2,3-dimethylbutanamide?
2-(carbamothioylamino)-2,3-dimethylbutanamide has a molecular weight of 189.28 g/mol, XLogP of -0.28, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamothioylamino)-2,3-dimethylbutanamide is sourced from PubChem (CID 126978502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).