N-(3-cyclohexyloxypropyl)-1,1-dioxothian-3-amine

C14H27NO3S — CID 63910847

IUPACN-(3-cyclohexyloxypropyl)-1,1-dioxothian-3-amine
SMILESO=S1(=O)CCCC(NCCCOC2CCCCC2)C1
InChIInChI=1S/C14H27NO3S/c16-19(17)11-4-6-13(12-19)15-9-5-10-18-14-7-2-1-3-8-14/h13-15H,1-12H2
InChIKeyZVKJUUZCDHOEED-UHFFFAOYSA-N
MW289.44 g/mol
LogP1.89
Rot. Bonds6

About N-(3-cyclohexyloxypropyl)-1,1-dioxothian-3-amine

N-(3-cyclohexyloxypropyl)-1,1-dioxothian-3-amine (PubChem CID 63910847) has the molecular formula C14H27NO3S and a molecular weight of 289.44 g/mol. Its IUPAC name is N-(3-cyclohexyloxypropyl)-1,1-dioxothian-3-amine.

Molecular Properties

Compound NameN-(3-cyclohexyloxypropyl)-1,1-dioxothian-3-amine
PubChem CID63910847
Molecular FormulaC14H27NO3S
Molecular Weight289.44 g/mol
Exact Mass289.17
IUPAC NameN-(3-cyclohexyloxypropyl)-1,1-dioxothian-3-amine
SMILESO=S1(=O)CCCC(NCCCOC2CCCCC2)C1
InChIInChI=1S/C14H27NO3S/c16-19(17)11-4-6-13(12-19)15-9-5-10-18-14-7-2-1-3-8-14/h13-15H,1-12H2
InChIKeyZVKJUUZCDHOEED-UHFFFAOYSA-N
XLogP1.89
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexyloxypropyl)-1,1-dioxothian-3-amine?
The IUPAC name of N-(3-cyclohexyloxypropyl)-1,1-dioxothian-3-amine (CID 63910847) is N-(3-cyclohexyloxypropyl)-1,1-dioxothian-3-amine.
What is the SMILES notation for N-(3-cyclohexyloxypropyl)-1,1-dioxothian-3-amine?
The canonical SMILES for N-(3-cyclohexyloxypropyl)-1,1-dioxothian-3-amine is O=S1(=O)CCCC(NCCCOC2CCCCC2)C1.
What is the InChIKey of N-(3-cyclohexyloxypropyl)-1,1-dioxothian-3-amine?
The InChIKey is ZVKJUUZCDHOEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3S/c16-19(17)11-4-6-13(12-19)15-9-5-10-18-14-7-2-1-3-8-14/h13-15H,1-12H2.
What are the key properties of N-(3-cyclohexyloxypropyl)-1,1-dioxothian-3-amine?
N-(3-cyclohexyloxypropyl)-1,1-dioxothian-3-amine has a molecular weight of 289.44 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexyloxypropyl)-1,1-dioxothian-3-amine is sourced from PubChem (CID 63910847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).