2-[2-cyclohexylethyl(cyclopentyl)amino]ethanethioamide

C15H28N2S — CID 114191209

IUPAC2-[2-cyclohexylethyl(cyclopentyl)amino]ethanethioamide
SMILESNC(=S)CN(CCC1CCCCC1)C1CCCC1
InChIInChI=1S/C15H28N2S/c16-15(18)12-17(14-8-4-5-9-14)11-10-13-6-2-1-3-7-13/h13-14H,1-12H2,(H2,16,18)
InChIKeyWWHZLNUWRUFAJF-UHFFFAOYSA-N
MW268.47 g/mol
LogP3.49
Rot. Bonds6

About 2-[2-cyclohexylethyl(cyclopentyl)amino]ethanethioamide

2-[2-cyclohexylethyl(cyclopentyl)amino]ethanethioamide (PubChem CID 114191209) has the molecular formula C15H28N2S and a molecular weight of 268.47 g/mol. Its IUPAC name is 2-[2-cyclohexylethyl(cyclopentyl)amino]ethanethioamide.

Molecular Properties

Compound Name2-[2-cyclohexylethyl(cyclopentyl)amino]ethanethioamide
PubChem CID114191209
Molecular FormulaC15H28N2S
Molecular Weight268.47 g/mol
Exact Mass268.20
IUPAC Name2-[2-cyclohexylethyl(cyclopentyl)amino]ethanethioamide
SMILESNC(=S)CN(CCC1CCCCC1)C1CCCC1
InChIInChI=1S/C15H28N2S/c16-15(18)12-17(14-8-4-5-9-14)11-10-13-6-2-1-3-7-13/h13-14H,1-12H2,(H2,16,18)
InChIKeyWWHZLNUWRUFAJF-UHFFFAOYSA-N
XLogP3.49
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[cyclopentyl(ethyl)amino]ethanethioamide
CID 43541169
2-[2-cyclopentylethyl(piperidin-4-yl)amino]acetamide
CID 114191603
2-[cyclopentyl(2,3-dihydroxypropyl)amino]ethanethioamide
CID 82851165
2-[cyclopentyl-[2-(4-methoxyphenyl)ethyl]amino]ethanethioamide
CID 65446178
2-[cyclopentyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]ethanethioamide
CID 103002660
2-cyclohexylethanethioamide
CID 18755158
[cyclohexyl(hydroxymethyl)amino]methanol
CID 14205712
3-[cyclohexyl(2-methoxyethyl)amino]propanethioamide
CID 63284977
2-[cyclopentyl-[2-(dimethylamino)ethyl]amino]-N'-hydroxyethanimidamide
CID 77037907
N-(2-bromoethyl)-N-(2-cyclopropylethyl)cyclobutanamine
CID 102860767
1,3-bis(2-cyclopentylethyl)-1,3-dimethylthiourea
CID 18716766
N-(2-cyclohexylethyl)-N-ethylazepan-4-amine;hydrochloride
CID 120844769

Frequently Asked Questions

What is the IUPAC name of 2-[2-cyclohexylethyl(cyclopentyl)amino]ethanethioamide?
The IUPAC name of 2-[2-cyclohexylethyl(cyclopentyl)amino]ethanethioamide (CID 114191209) is 2-[2-cyclohexylethyl(cyclopentyl)amino]ethanethioamide.
What is the SMILES notation for 2-[2-cyclohexylethyl(cyclopentyl)amino]ethanethioamide?
The canonical SMILES for 2-[2-cyclohexylethyl(cyclopentyl)amino]ethanethioamide is NC(=S)CN(CCC1CCCCC1)C1CCCC1.
What is the InChIKey of 2-[2-cyclohexylethyl(cyclopentyl)amino]ethanethioamide?
The InChIKey is WWHZLNUWRUFAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2S/c16-15(18)12-17(14-8-4-5-9-14)11-10-13-6-2-1-3-7-13/h13-14H,1-12H2,(H2,16,18).
What are the key properties of 2-[2-cyclohexylethyl(cyclopentyl)amino]ethanethioamide?
2-[2-cyclohexylethyl(cyclopentyl)amino]ethanethioamide has a molecular weight of 268.47 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyclohexylethyl(cyclopentyl)amino]ethanethioamide is sourced from PubChem (CID 114191209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).