4-(oxan-4-ylsulfanyl)cyclohexan-1-amine

C11H21NOS — CID 62996948

IUPAC4-(oxan-4-ylsulfanyl)cyclohexan-1-amine
SMILESNC1CCC(SC2CCOCC2)CC1
InChIInChI=1S/C11H21NOS/c12-9-1-3-10(4-2-9)14-11-5-7-13-8-6-11/h9-11H,1-8,12H2
InChIKeyTXXNIWQBPLYZCX-UHFFFAOYSA-N
MW215.36 g/mol
LogP2.17
Rot. Bonds2

About 4-(oxan-4-ylsulfanyl)cyclohexan-1-amine

4-(oxan-4-ylsulfanyl)cyclohexan-1-amine (PubChem CID 62996948) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is 4-(oxan-4-ylsulfanyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(oxan-4-ylsulfanyl)cyclohexan-1-amine
PubChem CID62996948
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC Name4-(oxan-4-ylsulfanyl)cyclohexan-1-amine
SMILESNC1CCC(SC2CCOCC2)CC1
InChIInChI=1S/C11H21NOS/c12-9-1-3-10(4-2-9)14-11-5-7-13-8-6-11/h9-11H,1-8,12H2
InChIKeyTXXNIWQBPLYZCX-UHFFFAOYSA-N
XLogP2.17
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(oxan-4-ylsulfanyl)cyclohexan-1-amine?
The IUPAC name of 4-(oxan-4-ylsulfanyl)cyclohexan-1-amine (CID 62996948) is 4-(oxan-4-ylsulfanyl)cyclohexan-1-amine.
What is the SMILES notation for 4-(oxan-4-ylsulfanyl)cyclohexan-1-amine?
The canonical SMILES for 4-(oxan-4-ylsulfanyl)cyclohexan-1-amine is NC1CCC(SC2CCOCC2)CC1.
What is the InChIKey of 4-(oxan-4-ylsulfanyl)cyclohexan-1-amine?
The InChIKey is TXXNIWQBPLYZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NOS/c12-9-1-3-10(4-2-9)14-11-5-7-13-8-6-11/h9-11H,1-8,12H2.
What are the key properties of 4-(oxan-4-ylsulfanyl)cyclohexan-1-amine?
4-(oxan-4-ylsulfanyl)cyclohexan-1-amine has a molecular weight of 215.36 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-4-ylsulfanyl)cyclohexan-1-amine is sourced from PubChem (CID 62996948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).