2-(4-carbamothioylphenyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]acetamide

C16H23N3OS — CID 105418009

IUPAC2-(4-carbamothioylphenyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]acetamide
SMILESCN(C)C1(CNC(=O)Cc2ccc(C(N)=S)cc2)CCC1
InChIInChI=1S/C16H23N3OS/c1-19(2)16(8-3-9-16)11-18-14(20)10-12-4-6-13(7-5-12)15(17)21/h4-7H,3,8-11H2,1-2H3,(H2,17,21)(H,18,20)
InChIKeyKKTHOIFAZAMHJA-UHFFFAOYSA-N
MW305.45 g/mol
LogP1.46
Rot. Bonds6

About 2-(4-carbamothioylphenyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]acetamide

2-(4-carbamothioylphenyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]acetamide (PubChem CID 105418009) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is 2-(4-carbamothioylphenyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-carbamothioylphenyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]acetamide
PubChem CID105418009
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC Name2-(4-carbamothioylphenyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]acetamide
SMILESCN(C)C1(CNC(=O)Cc2ccc(C(N)=S)cc2)CCC1
InChIInChI=1S/C16H23N3OS/c1-19(2)16(8-3-9-16)11-18-14(20)10-12-4-6-13(7-5-12)15(17)21/h4-7H,3,8-11H2,1-2H3,(H2,17,21)(H,18,20)
InChIKeyKKTHOIFAZAMHJA-UHFFFAOYSA-N
XLogP1.46
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-sulfanylidenepropanamide
CID 83109897
2-(4-chlorophenyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]acetamide
CID 16625893
2-(4-chlorophenyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]acetamide;hydrochloride
CID 20995022
3-carbamothioyl-N-[[1-(dimethylamino)cyclopentyl]methyl]benzamide
CID 83112832
4-carbamothioyl-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzamide
CID 105418027
N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-(4-fluorophenyl)acetamide
CID 56790222
N-[[1-(dimethylamino)cycloheptyl]methyl]-2-(4-pyrrol-1-ylphenyl)acetamide
CID 46408847
2-(4-carbamothioylphenyl)-N-[2-(dimethylamino)-2-methylpropyl]acetamide
CID 63591600
1-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]cyclobutane-1-carboxamide
CID 83111018
4-(chloromethyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide
CID 61251736
2-(4-carbamothioylphenyl)-N-[2-[ethyl(methyl)amino]ethyl]acetamide
CID 63613701
4-carbamothioyl-N-[[1-(dimethylamino)cyclobutyl]methyl]oxane-4-carboxamide
CID 105418006

Frequently Asked Questions

What is the IUPAC name of 2-(4-carbamothioylphenyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]acetamide?
The IUPAC name of 2-(4-carbamothioylphenyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]acetamide (CID 105418009) is 2-(4-carbamothioylphenyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]acetamide.
What is the SMILES notation for 2-(4-carbamothioylphenyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]acetamide?
The canonical SMILES for 2-(4-carbamothioylphenyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]acetamide is CN(C)C1(CNC(=O)Cc2ccc(C(N)=S)cc2)CCC1.
What is the InChIKey of 2-(4-carbamothioylphenyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]acetamide?
The InChIKey is KKTHOIFAZAMHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-19(2)16(8-3-9-16)11-18-14(20)10-12-4-6-13(7-5-12)15(17)21/h4-7H,3,8-11H2,1-2H3,(H2,17,21)(H,18,20).
What are the key properties of 2-(4-carbamothioylphenyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]acetamide?
2-(4-carbamothioylphenyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]acetamide has a molecular weight of 305.45 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbamothioylphenyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]acetamide is sourced from PubChem (CID 105418009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).