N-(1-cyclohexylethyl)-1,1-dioxothian-4-amine

C13H25NO2S — CID 43778630

IUPACN-(1-cyclohexylethyl)-1,1-dioxothian-4-amine
SMILESCC(NC1CCS(=O)(=O)CC1)C1CCCCC1
InChIInChI=1S/C13H25NO2S/c1-11(12-5-3-2-4-6-12)14-13-7-9-17(15,16)10-8-13/h11-14H,2-10H2,1H3
InChIKeyYPTPURHGTFTVEM-UHFFFAOYSA-N
MW259.41 g/mol
LogP2.12
Rot. Bonds3

About N-(1-cyclohexylethyl)-1,1-dioxothian-4-amine

N-(1-cyclohexylethyl)-1,1-dioxothian-4-amine (PubChem CID 43778630) has the molecular formula C13H25NO2S and a molecular weight of 259.41 g/mol. Its IUPAC name is N-(1-cyclohexylethyl)-1,1-dioxothian-4-amine.

Molecular Properties

Compound NameN-(1-cyclohexylethyl)-1,1-dioxothian-4-amine
PubChem CID43778630
Molecular FormulaC13H25NO2S
Molecular Weight259.41 g/mol
Exact Mass259.16
IUPAC NameN-(1-cyclohexylethyl)-1,1-dioxothian-4-amine
SMILESCC(NC1CCS(=O)(=O)CC1)C1CCCCC1
InChIInChI=1S/C13H25NO2S/c1-11(12-5-3-2-4-6-12)14-13-7-9-17(15,16)10-8-13/h11-14H,2-10H2,1H3
InChIKeyYPTPURHGTFTVEM-UHFFFAOYSA-N
XLogP2.12
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.41
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylethyl)-1,1-dioxothian-4-amine?
The IUPAC name of N-(1-cyclohexylethyl)-1,1-dioxothian-4-amine (CID 43778630) is N-(1-cyclohexylethyl)-1,1-dioxothian-4-amine.
What is the SMILES notation for N-(1-cyclohexylethyl)-1,1-dioxothian-4-amine?
The canonical SMILES for N-(1-cyclohexylethyl)-1,1-dioxothian-4-amine is CC(NC1CCS(=O)(=O)CC1)C1CCCCC1.
What is the InChIKey of N-(1-cyclohexylethyl)-1,1-dioxothian-4-amine?
The InChIKey is YPTPURHGTFTVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2S/c1-11(12-5-3-2-4-6-12)14-13-7-9-17(15,16)10-8-13/h11-14H,2-10H2,1H3.
What are the key properties of N-(1-cyclohexylethyl)-1,1-dioxothian-4-amine?
N-(1-cyclohexylethyl)-1,1-dioxothian-4-amine has a molecular weight of 259.41 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylethyl)-1,1-dioxothian-4-amine is sourced from PubChem (CID 43778630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).