3-[4-[4-(3-aminocyclohexyl)oxycyclohexyl]sulfonylcyclohexyl]oxycyclohexan-1-amine

C24H44N2O4S — CID 67246512

IUPAC3-[4-[4-(3-aminocyclohexyl)oxycyclohexyl]sulfonylcyclohexyl]oxycyclohexan-1-amine
SMILESNC1CCCC(OC2CCC(S(=O)(=O)C3CCC(OC4CCCC(N)C4)CC3)CC2)C1
InChIInChI=1S/C24H44N2O4S/c25-17-3-1-5-21(15-17)29-19-7-11-23(12-8-19)31(27,28)24-13-9-20(10-14-24)30-22-6-2-4-18(26)16-22/h17-24H,1-16,25-26H2
InChIKeyISPOMZMFILGSCS-UHFFFAOYSA-N
MW456.69 g/mol
LogP3.60
Rot. Bonds6

About 3-[4-[4-(3-aminocyclohexyl)oxycyclohexyl]sulfonylcyclohexyl]oxycyclohexan-1-amine

3-[4-[4-(3-aminocyclohexyl)oxycyclohexyl]sulfonylcyclohexyl]oxycyclohexan-1-amine (PubChem CID 67246512) has the molecular formula C24H44N2O4S and a molecular weight of 456.69 g/mol. Its IUPAC name is 3-[4-[4-(3-aminocyclohexyl)oxycyclohexyl]sulfonylcyclohexyl]oxycyclohexan-1-amine.

Molecular Properties

Compound Name3-[4-[4-(3-aminocyclohexyl)oxycyclohexyl]sulfonylcyclohexyl]oxycyclohexan-1-amine
PubChem CID67246512
Molecular FormulaC24H44N2O4S
Molecular Weight456.69 g/mol
Exact Mass456.30
IUPAC Name3-[4-[4-(3-aminocyclohexyl)oxycyclohexyl]sulfonylcyclohexyl]oxycyclohexan-1-amine
SMILESNC1CCCC(OC2CCC(S(=O)(=O)C3CCC(OC4CCCC(N)C4)CC3)CC2)C1
InChIInChI=1S/C24H44N2O4S/c25-17-3-1-5-21(15-17)29-19-7-11-23(12-8-19)31(27,28)24-13-9-20(10-14-24)30-22-6-2-4-18(26)16-22/h17-24H,1-16,25-26H2
InChIKeyISPOMZMFILGSCS-UHFFFAOYSA-N
XLogP3.60
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.69
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[4-[4-(3-aminocyclohexyl)oxycyclohexyl]sulfonylcyclohexyl]oxycyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(3-aminocyclohexyl)oxycyclohexyl]sulfonylcyclohexyl]oxycyclohexan-1-amine?
The IUPAC name of 3-[4-[4-(3-aminocyclohexyl)oxycyclohexyl]sulfonylcyclohexyl]oxycyclohexan-1-amine (CID 67246512) is 3-[4-[4-(3-aminocyclohexyl)oxycyclohexyl]sulfonylcyclohexyl]oxycyclohexan-1-amine.
What is the SMILES notation for 3-[4-[4-(3-aminocyclohexyl)oxycyclohexyl]sulfonylcyclohexyl]oxycyclohexan-1-amine?
The canonical SMILES for 3-[4-[4-(3-aminocyclohexyl)oxycyclohexyl]sulfonylcyclohexyl]oxycyclohexan-1-amine is NC1CCCC(OC2CCC(S(=O)(=O)C3CCC(OC4CCCC(N)C4)CC3)CC2)C1.
What is the InChIKey of 3-[4-[4-(3-aminocyclohexyl)oxycyclohexyl]sulfonylcyclohexyl]oxycyclohexan-1-amine?
The InChIKey is ISPOMZMFILGSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44N2O4S/c25-17-3-1-5-21(15-17)29-19-7-11-23(12-8-19)31(27,28)24-13-9-20(10-14-24)30-22-6-2-4-18(26)16-22/h17-24H,1-16,25-26H2.
What are the key properties of 3-[4-[4-(3-aminocyclohexyl)oxycyclohexyl]sulfonylcyclohexyl]oxycyclohexan-1-amine?
3-[4-[4-(3-aminocyclohexyl)oxycyclohexyl]sulfonylcyclohexyl]oxycyclohexan-1-amine has a molecular weight of 456.69 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(3-aminocyclohexyl)oxycyclohexyl]sulfonylcyclohexyl]oxycyclohexan-1-amine is sourced from PubChem (CID 67246512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).