N-[3-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-sulfanylacetamide

C16H24N2OS — CID 25257144

IUPACN-[3-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-sulfanylacetamide
SMILESCN(Cc1cccc(NC(=O)CS)c1)C1CCCCC1
InChIInChI=1S/C16H24N2OS/c1-18(15-8-3-2-4-9-15)11-13-6-5-7-14(10-13)17-16(19)12-20/h5-7,10,15,20H,2-4,8-9,11-12H2,1H3,(H,17,19)
InChIKeyVOGUDFQMQIMJCC-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.32
Rot. Bonds5

About N-[3-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-sulfanylacetamide

N-[3-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-sulfanylacetamide (PubChem CID 25257144) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is N-[3-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-sulfanylacetamide.

Molecular Properties

Compound NameN-[3-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-sulfanylacetamide
PubChem CID25257144
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC NameN-[3-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-sulfanylacetamide
SMILESCN(Cc1cccc(NC(=O)CS)c1)C1CCCCC1
InChIInChI=1S/C16H24N2OS/c1-18(15-8-3-2-4-9-15)11-13-6-5-7-14(10-13)17-16(19)12-20/h5-7,10,15,20H,2-4,8-9,11-12H2,1H3,(H,17,19)
InChIKeyVOGUDFQMQIMJCC-UHFFFAOYSA-N
XLogP3.32
TPSA32.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-[3-(aminomethyl)phenyl]-2-[cyclohexyl(methyl)amino]acetamide
CID 16782283
2-[cyclohexyl(methyl)amino]-N-(3-fluorophenyl)acetamide
CID 4818308
N-(3-ethylphenyl)-2-[methyl(piperidin-4-yl)amino]acetamide
CID 43607180
2-[cycloheptyl(methyl)amino]-N-phenylacetamide
CID 16577724
2-[cycloheptyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 16577679
N-(3-acetamidophenyl)-2-sulfanylacetamide
CID 60650093
N-(3-acetylphenyl)-2-[benzyl(cyclohexyl)amino]acetamide
CID 52688849
2-[[3-[(dimethylamino)methyl]phenyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103978190
2-[cyclohexyl(methyl)amino]-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54817312
N-[3-(bromomethyl)phenyl]-2-cyclopentylacetamide
CID 114307300
N-[3-(aminomethyl)phenyl]-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide
CID 62545512
2-[azepan-4-yl(methyl)amino]-N-(3-bromophenyl)acetamide
CID 104979514

Frequently Asked Questions

What is the IUPAC name of N-[3-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-sulfanylacetamide?
The IUPAC name of N-[3-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-sulfanylacetamide (CID 25257144) is N-[3-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-sulfanylacetamide.
What is the SMILES notation for N-[3-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-sulfanylacetamide?
The canonical SMILES for N-[3-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-sulfanylacetamide is CN(Cc1cccc(NC(=O)CS)c1)C1CCCCC1.
What is the InChIKey of N-[3-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-sulfanylacetamide?
The InChIKey is VOGUDFQMQIMJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-18(15-8-3-2-4-9-15)11-13-6-5-7-14(10-13)17-16(19)12-20/h5-7,10,15,20H,2-4,8-9,11-12H2,1H3,(H,17,19).
What are the key properties of N-[3-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-sulfanylacetamide?
N-[3-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-sulfanylacetamide has a molecular weight of 292.45 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-sulfanylacetamide is sourced from PubChem (CID 25257144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).