2-aminoethyl N-cyclooctylcarbamodithioate;hydrochloride

C11H23ClN2S2 — CID 2725797

IUPAC2-aminoethyl N-cyclooctylcarbamodithioate;hydrochloride
SMILESCl.NCCSC(=S)NC1CCCCCCC1
InChIInChI=1S/C11H22N2S2.ClH/c12-8-9-15-11(14)13-10-6-4-2-1-3-5-7-10;/h10H,1-9,12H2,(H,13,14);1H
InChIKeyRCSABJRYIUXSPJ-UHFFFAOYSA-N
MW282.91 g/mol
LogP3.09
Rot. Bonds3

About 2-aminoethyl N-cyclooctylcarbamodithioate;hydrochloride

2-aminoethyl N-cyclooctylcarbamodithioate;hydrochloride (PubChem CID 2725797) has the molecular formula C11H23ClN2S2 and a molecular weight of 282.91 g/mol. Its IUPAC name is 2-aminoethyl N-cyclooctylcarbamodithioate;hydrochloride.

Molecular Properties

Compound Name2-aminoethyl N-cyclooctylcarbamodithioate;hydrochloride
PubChem CID2725797
Molecular FormulaC11H23ClN2S2
Molecular Weight282.91 g/mol
Exact Mass282.10
IUPAC Name2-aminoethyl N-cyclooctylcarbamodithioate;hydrochloride
SMILESCl.NCCSC(=S)NC1CCCCCCC1
InChIInChI=1S/C11H22N2S2.ClH/c12-8-9-15-11(14)13-10-6-4-2-1-3-5-7-10;/h10H,1-9,12H2,(H,13,14);1H
InChIKeyRCSABJRYIUXSPJ-UHFFFAOYSA-N
XLogP3.09
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.91
LogP ≤ 53.09
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

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CID 7004342
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cycloheptylthiourea
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cyclooctylcarbamodithioic acid
CID 150069729
N-cyclohexylethanethioamide;ethane
CID 142134846
2-aminoethyl N-cyclohexylcarbamate;molecular hydrogen
CID 159671742
N'-cycloundecylethane-1,2-diamine
CID 166845791
N'-cyclopentylethane-1,2-diamine;dihydrochloride
CID 154725501
1-cycloheptyl-3-[4-(cyclohexylcarbamothioylamino)butyl]thiourea
CID 131972404
N-cycloheptyl-2-(cyclopentylamino)-2-sulfanylideneacetamide
CID 2975425
1-cyclopentyl-3-(2-methylsulfanylethyl)thiourea
CID 115760787

Frequently Asked Questions

What is the IUPAC name of 2-aminoethyl N-cyclooctylcarbamodithioate;hydrochloride?
The IUPAC name of 2-aminoethyl N-cyclooctylcarbamodithioate;hydrochloride (CID 2725797) is 2-aminoethyl N-cyclooctylcarbamodithioate;hydrochloride.
What is the SMILES notation for 2-aminoethyl N-cyclooctylcarbamodithioate;hydrochloride?
The canonical SMILES for 2-aminoethyl N-cyclooctylcarbamodithioate;hydrochloride is Cl.NCCSC(=S)NC1CCCCCCC1.
What is the InChIKey of 2-aminoethyl N-cyclooctylcarbamodithioate;hydrochloride?
The InChIKey is RCSABJRYIUXSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S2.ClH/c12-8-9-15-11(14)13-10-6-4-2-1-3-5-7-10;/h10H,1-9,12H2,(H,13,14);1H.
What are the key properties of 2-aminoethyl N-cyclooctylcarbamodithioate;hydrochloride?
2-aminoethyl N-cyclooctylcarbamodithioate;hydrochloride has a molecular weight of 282.91 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethyl N-cyclooctylcarbamodithioate;hydrochloride is sourced from PubChem (CID 2725797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).