N-methyl-3-(3-methylcyclohexyl)sulfonyloxan-4-amine

C13H25NO3S — CID 64676036

IUPACN-methyl-3-(3-methylcyclohexyl)sulfonyloxan-4-amine
SMILESCNC1CCOCC1S(=O)(=O)C1CCCC(C)C1
InChIInChI=1S/C13H25NO3S/c1-10-4-3-5-11(8-10)18(15,16)13-9-17-7-6-12(13)14-2/h10-14H,3-9H2,1-2H3
InChIKeyWLLGLQMCCOVXML-UHFFFAOYSA-N
MW275.41 g/mol
LogP1.36
Rot. Bonds3

About N-methyl-3-(3-methylcyclohexyl)sulfonyloxan-4-amine

N-methyl-3-(3-methylcyclohexyl)sulfonyloxan-4-amine (PubChem CID 64676036) has the molecular formula C13H25NO3S and a molecular weight of 275.41 g/mol. Its IUPAC name is N-methyl-3-(3-methylcyclohexyl)sulfonyloxan-4-amine.

Molecular Properties

Compound NameN-methyl-3-(3-methylcyclohexyl)sulfonyloxan-4-amine
PubChem CID64676036
Molecular FormulaC13H25NO3S
Molecular Weight275.41 g/mol
Exact Mass275.16
IUPAC NameN-methyl-3-(3-methylcyclohexyl)sulfonyloxan-4-amine
SMILESCNC1CCOCC1S(=O)(=O)C1CCCC(C)C1
InChIInChI=1S/C13H25NO3S/c1-10-4-3-5-11(8-10)18(15,16)13-9-17-7-6-12(13)14-2/h10-14H,3-9H2,1-2H3
InChIKeyWLLGLQMCCOVXML-UHFFFAOYSA-N
XLogP1.36
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.41
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(3-methylcyclohexyl)sulfonyloxan-4-amine?
The IUPAC name of N-methyl-3-(3-methylcyclohexyl)sulfonyloxan-4-amine (CID 64676036) is N-methyl-3-(3-methylcyclohexyl)sulfonyloxan-4-amine.
What is the SMILES notation for N-methyl-3-(3-methylcyclohexyl)sulfonyloxan-4-amine?
The canonical SMILES for N-methyl-3-(3-methylcyclohexyl)sulfonyloxan-4-amine is CNC1CCOCC1S(=O)(=O)C1CCCC(C)C1.
What is the InChIKey of N-methyl-3-(3-methylcyclohexyl)sulfonyloxan-4-amine?
The InChIKey is WLLGLQMCCOVXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3S/c1-10-4-3-5-11(8-10)18(15,16)13-9-17-7-6-12(13)14-2/h10-14H,3-9H2,1-2H3.
What are the key properties of N-methyl-3-(3-methylcyclohexyl)sulfonyloxan-4-amine?
N-methyl-3-(3-methylcyclohexyl)sulfonyloxan-4-amine has a molecular weight of 275.41 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(3-methylcyclohexyl)sulfonyloxan-4-amine is sourced from PubChem (CID 64676036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).