1-(1-methoxycyclopentyl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine

C15H29NO3S — CID 104610833

IUPAC1-(1-methoxycyclopentyl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine
SMILESCNC(C1CCCC(S(C)(=O)=O)C1)C1(OC)CCCC1
InChIInChI=1S/C15H29NO3S/c1-16-14(15(19-2)9-4-5-10-15)12-7-6-8-13(11-12)20(3,17)18/h12-14,16H,4-11H2,1-3H3
InChIKeyWXWMXDGFLIPNMU-UHFFFAOYSA-N
MW303.47 g/mol
LogP2.14
Rot. Bonds5

About 1-(1-methoxycyclopentyl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine

1-(1-methoxycyclopentyl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine (PubChem CID 104610833) has the molecular formula C15H29NO3S and a molecular weight of 303.47 g/mol. Its IUPAC name is 1-(1-methoxycyclopentyl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine.

Molecular Properties

Compound Name1-(1-methoxycyclopentyl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine
PubChem CID104610833
Molecular FormulaC15H29NO3S
Molecular Weight303.47 g/mol
Exact Mass303.19
IUPAC Name1-(1-methoxycyclopentyl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine
SMILESCNC(C1CCCC(S(C)(=O)=O)C1)C1(OC)CCCC1
InChIInChI=1S/C15H29NO3S/c1-16-14(15(19-2)9-4-5-10-15)12-7-6-8-13(11-12)20(3,17)18/h12-14,16H,4-11H2,1-3H3
InChIKeyWXWMXDGFLIPNMU-UHFFFAOYSA-N
XLogP2.14
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxycyclopentyl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine?
The IUPAC name of 1-(1-methoxycyclopentyl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine (CID 104610833) is 1-(1-methoxycyclopentyl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine.
What is the SMILES notation for 1-(1-methoxycyclopentyl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine?
The canonical SMILES for 1-(1-methoxycyclopentyl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine is CNC(C1CCCC(S(C)(=O)=O)C1)C1(OC)CCCC1.
What is the InChIKey of 1-(1-methoxycyclopentyl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine?
The InChIKey is WXWMXDGFLIPNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3S/c1-16-14(15(19-2)9-4-5-10-15)12-7-6-8-13(11-12)20(3,17)18/h12-14,16H,4-11H2,1-3H3.
What are the key properties of 1-(1-methoxycyclopentyl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine?
1-(1-methoxycyclopentyl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine has a molecular weight of 303.47 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxycyclopentyl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine is sourced from PubChem (CID 104610833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).