4-(cyclobutylamino)benzenecarbothioamide

C11H14N2S — CID 62415187

IUPAC4-(cyclobutylamino)benzenecarbothioamide
SMILESNC(=S)c1ccc(NC2CCC2)cc1
InChIInChI=1S/C11H14N2S/c12-11(14)8-4-6-10(7-5-8)13-9-2-1-3-9/h4-7,9,13H,1-3H2,(H2,12,14)
InChIKeyRDXREMDXHHUZBS-UHFFFAOYSA-N
MW206.31 g/mol
LogP2.29
Rot. Bonds3

About 4-(cyclobutylamino)benzenecarbothioamide

4-(cyclobutylamino)benzenecarbothioamide (PubChem CID 62415187) has the molecular formula C11H14N2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 4-(cyclobutylamino)benzenecarbothioamide.

Molecular Properties

Compound Name4-(cyclobutylamino)benzenecarbothioamide
PubChem CID62415187
Molecular FormulaC11H14N2S
Molecular Weight206.31 g/mol
Exact Mass206.09
IUPAC Name4-(cyclobutylamino)benzenecarbothioamide
SMILESNC(=S)c1ccc(NC2CCC2)cc1
InChIInChI=1S/C11H14N2S/c12-11(14)8-4-6-10(7-5-8)13-9-2-1-3-9/h4-7,9,13H,1-3H2,(H2,12,14)
InChIKeyRDXREMDXHHUZBS-UHFFFAOYSA-N
XLogP2.29
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 52.29
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

4-(oxolan-3-ylamino)benzenecarbothioamide
CID 80714281
3-(cyclobutylamino)-5-methylbenzenecarbothioamide
CID 58503878
4-(cyclobutylamino)-3-methylbenzenecarbothioamide
CID 62415378
4-(cyclopentylamino)-2-methylbenzenecarbothioamide
CID 81278916
2-bromo-4-(cyclobutylamino)benzenecarbothioamide
CID 107277725
4-(cyclopropylamino)benzamide
CID 103605968
4-(cyclohexylamino)benzenecarboximidamide
CID 54550444
4-[(2,2,3,3-tetramethylcyclopropyl)amino]benzenecarbothioamide
CID 79363324
[4-(cyclopentylamino)phenyl]urea
CID 43744886
4-[(3-aminocyclohexyl)amino]benzamide
CID 79458720
5-(cyclopropylamino)pyridine-2-carbothioamide
CID 115488040
2-(cyclobutylamino)-6-methylpyridine-4-carbothioamide
CID 58503678

Frequently Asked Questions

What is the IUPAC name of 4-(cyclobutylamino)benzenecarbothioamide?
The IUPAC name of 4-(cyclobutylamino)benzenecarbothioamide (CID 62415187) is 4-(cyclobutylamino)benzenecarbothioamide.
What is the SMILES notation for 4-(cyclobutylamino)benzenecarbothioamide?
The canonical SMILES for 4-(cyclobutylamino)benzenecarbothioamide is NC(=S)c1ccc(NC2CCC2)cc1.
What is the InChIKey of 4-(cyclobutylamino)benzenecarbothioamide?
The InChIKey is RDXREMDXHHUZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S/c12-11(14)8-4-6-10(7-5-8)13-9-2-1-3-9/h4-7,9,13H,1-3H2,(H2,12,14).
What are the key properties of 4-(cyclobutylamino)benzenecarbothioamide?
4-(cyclobutylamino)benzenecarbothioamide has a molecular weight of 206.31 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclobutylamino)benzenecarbothioamide is sourced from PubChem (CID 62415187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).