6-methoxy-4-(4-methylsulfonylcyclohexyl)-N-(thiolan-2-ylmethyl)piperidin-2-amine

C18H34N2O3S2 — CID 156650484

IUPAC6-methoxy-4-(4-methylsulfonylcyclohexyl)-N-(thiolan-2-ylmethyl)piperidin-2-amine
SMILESCOC1CC(C2CCC(S(C)(=O)=O)CC2)CC(NCC2CCCS2)N1
InChIInChI=1S/C18H34N2O3S2/c1-23-18-11-14(13-5-7-16(8-6-13)25(2,21)22)10-17(20-18)19-12-15-4-3-9-24-15/h13-20H,3-12H2,1-2H3
InChIKeyAIIJACKUTGHAAY-UHFFFAOYSA-N
MW390.62 g/mol
LogP2.37
Rot. Bonds6

About 6-methoxy-4-(4-methylsulfonylcyclohexyl)-N-(thiolan-2-ylmethyl)piperidin-2-amine

6-methoxy-4-(4-methylsulfonylcyclohexyl)-N-(thiolan-2-ylmethyl)piperidin-2-amine (PubChem CID 156650484) has the molecular formula C18H34N2O3S2 and a molecular weight of 390.62 g/mol. Its IUPAC name is 6-methoxy-4-(4-methylsulfonylcyclohexyl)-N-(thiolan-2-ylmethyl)piperidin-2-amine.

Molecular Properties

Compound Name6-methoxy-4-(4-methylsulfonylcyclohexyl)-N-(thiolan-2-ylmethyl)piperidin-2-amine
PubChem CID156650484
Molecular FormulaC18H34N2O3S2
Molecular Weight390.62 g/mol
Exact Mass390.20
IUPAC Name6-methoxy-4-(4-methylsulfonylcyclohexyl)-N-(thiolan-2-ylmethyl)piperidin-2-amine
SMILESCOC1CC(C2CCC(S(C)(=O)=O)CC2)CC(NCC2CCCS2)N1
InChIInChI=1S/C18H34N2O3S2/c1-23-18-11-14(13-5-7-16(8-6-13)25(2,21)22)10-17(20-18)19-12-15-4-3-9-24-15/h13-20H,3-12H2,1-2H3
InChIKeyAIIJACKUTGHAAY-UHFFFAOYSA-N
XLogP2.37
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.62
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-(4-methylsulfonylcyclohexyl)-N-(thiolan-2-ylmethyl)piperidin-2-amine?
The IUPAC name of 6-methoxy-4-(4-methylsulfonylcyclohexyl)-N-(thiolan-2-ylmethyl)piperidin-2-amine (CID 156650484) is 6-methoxy-4-(4-methylsulfonylcyclohexyl)-N-(thiolan-2-ylmethyl)piperidin-2-amine.
What is the SMILES notation for 6-methoxy-4-(4-methylsulfonylcyclohexyl)-N-(thiolan-2-ylmethyl)piperidin-2-amine?
The canonical SMILES for 6-methoxy-4-(4-methylsulfonylcyclohexyl)-N-(thiolan-2-ylmethyl)piperidin-2-amine is COC1CC(C2CCC(S(C)(=O)=O)CC2)CC(NCC2CCCS2)N1.
What is the InChIKey of 6-methoxy-4-(4-methylsulfonylcyclohexyl)-N-(thiolan-2-ylmethyl)piperidin-2-amine?
The InChIKey is AIIJACKUTGHAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O3S2/c1-23-18-11-14(13-5-7-16(8-6-13)25(2,21)22)10-17(20-18)19-12-15-4-3-9-24-15/h13-20H,3-12H2,1-2H3.
What are the key properties of 6-methoxy-4-(4-methylsulfonylcyclohexyl)-N-(thiolan-2-ylmethyl)piperidin-2-amine?
6-methoxy-4-(4-methylsulfonylcyclohexyl)-N-(thiolan-2-ylmethyl)piperidin-2-amine has a molecular weight of 390.62 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-(4-methylsulfonylcyclohexyl)-N-(thiolan-2-ylmethyl)piperidin-2-amine is sourced from PubChem (CID 156650484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).