N,3,3-trimethylbutanethioamide

C7H15NS — CID 15634522

IUPACN,3,3-trimethylbutanethioamide
SMILESCNC(=S)CC(C)(C)C
InChIInChI=1S/C7H15NS/c1-7(2,3)5-6(9)8-4/h5H2,1-4H3,(H,8,9)
InChIKeyOTEJPLGRRMQTNA-UHFFFAOYSA-N
MW145.27 g/mol
LogP1.97
Rot. Bonds1

About N,3,3-trimethylbutanethioamide

N,3,3-trimethylbutanethioamide (PubChem CID 15634522) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is N,3,3-trimethylbutanethioamide.

Molecular Properties

Compound NameN,3,3-trimethylbutanethioamide
PubChem CID15634522
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC NameN,3,3-trimethylbutanethioamide
SMILESCNC(=S)CC(C)(C)C
InChIInChI=1S/C7H15NS/c1-7(2,3)5-6(9)8-4/h5H2,1-4H3,(H,8,9)
InChIKeyOTEJPLGRRMQTNA-UHFFFAOYSA-N
XLogP1.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,2-Dimethyl-2-methylthiopropionamide
CID 3031121
N-ethyl-2,2-dimethylpropanethioamide
CID 12393297
N-methyl-thiobutanamide
CID 12732049
4,4,4-trifluoro-N,3,3-trimethylbutanethioamide
CID 156227183
N-(3-methylbutyl)ethanethioamide
CID 55286962
N,2-dimethylbutanethioamide
CID 12569116
3,3-Dimethylpyrrolidine-2-thione
CID 15197017
2-ethyl-N,2-dimethylbutanethioamide
CID 23622243
N,3-dimethylbutanethioamide
CID 55299114
N-(3,3-dimethylbutyl)methanethioamide
CID 55300731
N-(3,3-dimethylbutyl)ethanethioamide
CID 58780777
N,2,3-trimethylbutanethioamide
CID 59448631

Frequently Asked Questions

What is the IUPAC name of N,3,3-trimethylbutanethioamide?
The IUPAC name of N,3,3-trimethylbutanethioamide (CID 15634522) is N,3,3-trimethylbutanethioamide.
What is the SMILES notation for N,3,3-trimethylbutanethioamide?
The canonical SMILES for N,3,3-trimethylbutanethioamide is CNC(=S)CC(C)(C)C.
What is the InChIKey of N,3,3-trimethylbutanethioamide?
The InChIKey is OTEJPLGRRMQTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS/c1-7(2,3)5-6(9)8-4/h5H2,1-4H3,(H,8,9).
What are the key properties of N,3,3-trimethylbutanethioamide?
N,3,3-trimethylbutanethioamide has a molecular weight of 145.27 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,3-trimethylbutanethioamide is sourced from PubChem (CID 15634522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).