4-(4-methylsulfonylcyclohexyl)piperidin-3-amine

C12H24N2O2S — CID 140800773

IUPAC4-(4-methylsulfonylcyclohexyl)piperidin-3-amine
SMILESCS(=O)(=O)C1CCC(C2CCNCC2N)CC1
InChIInChI=1S/C12H24N2O2S/c1-17(15,16)10-4-2-9(3-5-10)11-6-7-14-8-12(11)13/h9-12,14H,2-8,13H2,1H3
InChIKeyMTAYTKOEOCTNPQ-UHFFFAOYSA-N
MW260.40 g/mol
LogP0.53
Rot. Bonds2

About 4-(4-methylsulfonylcyclohexyl)piperidin-3-amine

4-(4-methylsulfonylcyclohexyl)piperidin-3-amine (PubChem CID 140800773) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is 4-(4-methylsulfonylcyclohexyl)piperidin-3-amine.

Molecular Properties

Compound Name4-(4-methylsulfonylcyclohexyl)piperidin-3-amine
PubChem CID140800773
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Name4-(4-methylsulfonylcyclohexyl)piperidin-3-amine
SMILESCS(=O)(=O)C1CCC(C2CCNCC2N)CC1
InChIInChI=1S/C12H24N2O2S/c1-17(15,16)10-4-2-9(3-5-10)11-6-7-14-8-12(11)13/h9-12,14H,2-8,13H2,1H3
InChIKeyMTAYTKOEOCTNPQ-UHFFFAOYSA-N
XLogP0.53
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylsulfonylcyclohexyl)piperidin-3-amine?
The IUPAC name of 4-(4-methylsulfonylcyclohexyl)piperidin-3-amine (CID 140800773) is 4-(4-methylsulfonylcyclohexyl)piperidin-3-amine.
What is the SMILES notation for 4-(4-methylsulfonylcyclohexyl)piperidin-3-amine?
The canonical SMILES for 4-(4-methylsulfonylcyclohexyl)piperidin-3-amine is CS(=O)(=O)C1CCC(C2CCNCC2N)CC1.
What is the InChIKey of 4-(4-methylsulfonylcyclohexyl)piperidin-3-amine?
The InChIKey is MTAYTKOEOCTNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-17(15,16)10-4-2-9(3-5-10)11-6-7-14-8-12(11)13/h9-12,14H,2-8,13H2,1H3.
What are the key properties of 4-(4-methylsulfonylcyclohexyl)piperidin-3-amine?
4-(4-methylsulfonylcyclohexyl)piperidin-3-amine has a molecular weight of 260.40 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylsulfonylcyclohexyl)piperidin-3-amine is sourced from PubChem (CID 140800773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).