1-amino-10,10,10-triethoxydecane-3-thiol

C16H35NO3S — CID 151796359

IUPAC1-amino-10,10,10-triethoxydecane-3-thiol
SMILESCCOC(CCCCCCC(S)CCN)(OCC)OCC
InChIInChI=1S/C16H35NO3S/c1-4-18-16(19-5-2,20-6-3)13-10-8-7-9-11-15(21)12-14-17/h15,21H,4-14,17H2,1-3H3
InChIKeyRXRFEKCAEBRBOK-UHFFFAOYSA-N
MW321.53 g/mol
LogP3.74
Rot. Bonds15

About 1-amino-10,10,10-triethoxydecane-3-thiol

1-amino-10,10,10-triethoxydecane-3-thiol (PubChem CID 151796359) has the molecular formula C16H35NO3S and a molecular weight of 321.53 g/mol. Its IUPAC name is 1-amino-10,10,10-triethoxydecane-3-thiol.

Molecular Properties

Compound Name1-amino-10,10,10-triethoxydecane-3-thiol
PubChem CID151796359
Molecular FormulaC16H35NO3S
Molecular Weight321.53 g/mol
Exact Mass321.23
IUPAC Name1-amino-10,10,10-triethoxydecane-3-thiol
SMILESCCOC(CCCCCCC(S)CCN)(OCC)OCC
InChIInChI=1S/C16H35NO3S/c1-4-18-16(19-5-2,20-6-3)13-10-8-7-9-11-15(21)12-14-17/h15,21H,4-14,17H2,1-3H3
InChIKeyRXRFEKCAEBRBOK-UHFFFAOYSA-N
XLogP3.74
TPSA53.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.53
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

8,8,8-triethoxyoctan-3-amine
CID 162686266
ruthenium;1,1,1-triethoxydecane
CID 157324278
1,1,1-triethoxy-11-ethyltetradecane
CID 150375799
3-(2,2,2-triethoxyethyl)decan-1-amine
CID 150559594
1-aminooctacosane-10-thiol
CID 123711859
CID 156790678
CID 156790678
1-aminoundecane-6-thiol
CID 175712027
10,10,10-triethoxy-N-(10,10,10-triethoxydecyl)decan-1-amine
CID 150717186
1-aminotetradecane-2-thiol
CID 151563194
dodecane-6-thiol
CID 18757094
12-ethoxy-2,12-dimethyltridecan-1-amine
CID 150200796
1,1,1-triethoxy-10-(propyldisulfanyl)decane
CID 150716554

Frequently Asked Questions

What is the IUPAC name of 1-amino-10,10,10-triethoxydecane-3-thiol?
The IUPAC name of 1-amino-10,10,10-triethoxydecane-3-thiol (CID 151796359) is 1-amino-10,10,10-triethoxydecane-3-thiol.
What is the SMILES notation for 1-amino-10,10,10-triethoxydecane-3-thiol?
The canonical SMILES for 1-amino-10,10,10-triethoxydecane-3-thiol is CCOC(CCCCCCC(S)CCN)(OCC)OCC.
What is the InChIKey of 1-amino-10,10,10-triethoxydecane-3-thiol?
The InChIKey is RXRFEKCAEBRBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO3S/c1-4-18-16(19-5-2,20-6-3)13-10-8-7-9-11-15(21)12-14-17/h15,21H,4-14,17H2,1-3H3.
What are the key properties of 1-amino-10,10,10-triethoxydecane-3-thiol?
1-amino-10,10,10-triethoxydecane-3-thiol has a molecular weight of 321.53 g/mol, XLogP of 3.74, 15 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-10,10,10-triethoxydecane-3-thiol is sourced from PubChem (CID 151796359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).