[4-[[diethyl(oxo)-λ6-sulfanylidene]amino]cyclohexyl]methanamine

C11H24N2OS — CID 153279401

IUPAC[4-[[diethyl(oxo)-λ6-sulfanylidene]amino]cyclohexyl]methanamine
SMILESCCS(=O)(CC)=NC1CCC(CN)CC1
InChIInChI=1S/C11H24N2OS/c1-3-15(14,4-2)13-11-7-5-10(9-12)6-8-11/h10-11H,3-9,12H2,1-2H3
InChIKeyXFPZXOHSJWWNEP-UHFFFAOYSA-N
MW232.39 g/mol
LogP2.01
Rot. Bonds4

About [4-[[diethyl(oxo)-λ6-sulfanylidene]amino]cyclohexyl]methanamine

[4-[[diethyl(oxo)-λ6-sulfanylidene]amino]cyclohexyl]methanamine (PubChem CID 153279401) has the molecular formula C11H24N2OS and a molecular weight of 232.39 g/mol. Its IUPAC name is [4-[[diethyl(oxo)-λ6-sulfanylidene]amino]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-[[diethyl(oxo)-λ6-sulfanylidene]amino]cyclohexyl]methanamine
PubChem CID153279401
Molecular FormulaC11H24N2OS
Molecular Weight232.39 g/mol
Exact Mass232.16
IUPAC Name[4-[[diethyl(oxo)-λ6-sulfanylidene]amino]cyclohexyl]methanamine
SMILESCCS(=O)(CC)=NC1CCC(CN)CC1
InChIInChI=1S/C11H24N2OS/c1-3-15(14,4-2)13-11-7-5-10(9-12)6-8-11/h10-11H,3-9,12H2,1-2H3
InChIKeyXFPZXOHSJWWNEP-UHFFFAOYSA-N
XLogP2.01
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.39
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[[diethyl(oxo)-λ6-sulfanylidene]amino]cyclohexyl]methanamine?
The IUPAC name of [4-[[diethyl(oxo)-λ6-sulfanylidene]amino]cyclohexyl]methanamine (CID 153279401) is [4-[[diethyl(oxo)-λ6-sulfanylidene]amino]cyclohexyl]methanamine.
What is the SMILES notation for [4-[[diethyl(oxo)-λ6-sulfanylidene]amino]cyclohexyl]methanamine?
The canonical SMILES for [4-[[diethyl(oxo)-λ6-sulfanylidene]amino]cyclohexyl]methanamine is CCS(=O)(CC)=NC1CCC(CN)CC1.
What is the InChIKey of [4-[[diethyl(oxo)-λ6-sulfanylidene]amino]cyclohexyl]methanamine?
The InChIKey is XFPZXOHSJWWNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2OS/c1-3-15(14,4-2)13-11-7-5-10(9-12)6-8-11/h10-11H,3-9,12H2,1-2H3.
What are the key properties of [4-[[diethyl(oxo)-λ6-sulfanylidene]amino]cyclohexyl]methanamine?
[4-[[diethyl(oxo)-λ6-sulfanylidene]amino]cyclohexyl]methanamine has a molecular weight of 232.39 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[diethyl(oxo)-λ6-sulfanylidene]amino]cyclohexyl]methanamine is sourced from PubChem (CID 153279401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).