N-(butan-2-ylcarbamothioyl)-2,2-dimethylpropanamide

C10H20N2OS — CID 19187679

IUPACN-(butan-2-ylcarbamothioyl)-2,2-dimethylpropanamide
SMILESCCC(C)NC(=S)NC(=O)C(C)(C)C
InChIInChI=1S/C10H20N2OS/c1-6-7(2)11-9(14)12-8(13)10(3,4)5/h7H,6H2,1-5H3,(H2,11,12,13,14)
InChIKeyRVKJACJZQCNDKA-UHFFFAOYSA-N
MW216.35 g/mol
LogP1.82
Rot. Bonds2

About N-(butan-2-ylcarbamothioyl)-2,2-dimethylpropanamide

N-(butan-2-ylcarbamothioyl)-2,2-dimethylpropanamide (PubChem CID 19187679) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is N-(butan-2-ylcarbamothioyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(butan-2-ylcarbamothioyl)-2,2-dimethylpropanamide
PubChem CID19187679
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC NameN-(butan-2-ylcarbamothioyl)-2,2-dimethylpropanamide
SMILESCCC(C)NC(=S)NC(=O)C(C)(C)C
InChIInChI=1S/C10H20N2OS/c1-6-7(2)11-9(14)12-8(13)10(3,4)5/h7H,6H2,1-5H3,(H2,11,12,13,14)
InChIKeyRVKJACJZQCNDKA-UHFFFAOYSA-N
XLogP1.82
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 51.82
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

1,3-di(butan-2-yl)thiourea
CID 5366322
2,2-dimethyl-N-(1-phenylpropylcarbamothioyl)propanamide
CID 43911866
1-[(2R)-butan-2-yl]-3-[3-[[(2R)-butan-2-yl]carbamothioylamino]-2,2-dimethylpropyl]thiourea
CID 29057493
1-butan-2-yl-3-methylthiourea
CID 12906295
1-butan-2-yl-3-ethylthiourea
CID 19652064
N-(butan-2-ylcarbamothioyl)-2-phenylacetamide
CID 17137462
N-[[4-(butan-2-ylsulfamoyl)phenyl]carbamothioyl]-2,2-dimethylpropanamide
CID 17160323
2,2-dimethyl-N-[5-(propanoylamino)hexan-2-yl]propanamide
CID 170029722
N-butan-2-yl-2-[[2-(tert-butylamino)-2-oxoethyl]amino]acetamide
CID 113219551
N-(butan-2-ylcarbamothioyl)-2-methylbenzamide
CID 17137466
N-butan-2-yl-2,2-bis(trifluoromethyl)butanamide
CID 3326094
N-[[(2R)-butan-2-yl]carbamoyl]-2,2,2-trifluoroacetamide
CID 163138483

Frequently Asked Questions

What is the IUPAC name of N-(butan-2-ylcarbamothioyl)-2,2-dimethylpropanamide?
The IUPAC name of N-(butan-2-ylcarbamothioyl)-2,2-dimethylpropanamide (CID 19187679) is N-(butan-2-ylcarbamothioyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(butan-2-ylcarbamothioyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(butan-2-ylcarbamothioyl)-2,2-dimethylpropanamide is CCC(C)NC(=S)NC(=O)C(C)(C)C.
What is the InChIKey of N-(butan-2-ylcarbamothioyl)-2,2-dimethylpropanamide?
The InChIKey is RVKJACJZQCNDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-6-7(2)11-9(14)12-8(13)10(3,4)5/h7H,6H2,1-5H3,(H2,11,12,13,14).
What are the key properties of N-(butan-2-ylcarbamothioyl)-2,2-dimethylpropanamide?
N-(butan-2-ylcarbamothioyl)-2,2-dimethylpropanamide has a molecular weight of 216.35 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(butan-2-ylcarbamothioyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 19187679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).