N-[(3-methoxyoxolan-3-yl)methyl]-3-methylsulfonylcyclohexan-1-amine

C13H25NO4S — CID 104760803

IUPACN-[(3-methoxyoxolan-3-yl)methyl]-3-methylsulfonylcyclohexan-1-amine
SMILESCOC1(CNC2CCCC(S(C)(=O)=O)C2)CCOC1
InChIInChI=1S/C13H25NO4S/c1-17-13(6-7-18-10-13)9-14-11-4-3-5-12(8-11)19(2,15)16/h11-12,14H,3-10H2,1-2H3
InChIKeyFPPDWSWMDJHIQF-UHFFFAOYSA-N
MW291.41 g/mol
LogP0.74
Rot. Bonds5

About N-[(3-methoxyoxolan-3-yl)methyl]-3-methylsulfonylcyclohexan-1-amine

N-[(3-methoxyoxolan-3-yl)methyl]-3-methylsulfonylcyclohexan-1-amine (PubChem CID 104760803) has the molecular formula C13H25NO4S and a molecular weight of 291.41 g/mol. Its IUPAC name is N-[(3-methoxyoxolan-3-yl)methyl]-3-methylsulfonylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(3-methoxyoxolan-3-yl)methyl]-3-methylsulfonylcyclohexan-1-amine
PubChem CID104760803
Molecular FormulaC13H25NO4S
Molecular Weight291.41 g/mol
Exact Mass291.15
IUPAC NameN-[(3-methoxyoxolan-3-yl)methyl]-3-methylsulfonylcyclohexan-1-amine
SMILESCOC1(CNC2CCCC(S(C)(=O)=O)C2)CCOC1
InChIInChI=1S/C13H25NO4S/c1-17-13(6-7-18-10-13)9-14-11-4-3-5-12(8-11)19(2,15)16/h11-12,14H,3-10H2,1-2H3
InChIKeyFPPDWSWMDJHIQF-UHFFFAOYSA-N
XLogP0.74
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.41
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]-3-methylsulfonylcyclohexan-1-amine?
The IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]-3-methylsulfonylcyclohexan-1-amine (CID 104760803) is N-[(3-methoxyoxolan-3-yl)methyl]-3-methylsulfonylcyclohexan-1-amine.
What is the SMILES notation for N-[(3-methoxyoxolan-3-yl)methyl]-3-methylsulfonylcyclohexan-1-amine?
The canonical SMILES for N-[(3-methoxyoxolan-3-yl)methyl]-3-methylsulfonylcyclohexan-1-amine is COC1(CNC2CCCC(S(C)(=O)=O)C2)CCOC1.
What is the InChIKey of N-[(3-methoxyoxolan-3-yl)methyl]-3-methylsulfonylcyclohexan-1-amine?
The InChIKey is FPPDWSWMDJHIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4S/c1-17-13(6-7-18-10-13)9-14-11-4-3-5-12(8-11)19(2,15)16/h11-12,14H,3-10H2,1-2H3.
What are the key properties of N-[(3-methoxyoxolan-3-yl)methyl]-3-methylsulfonylcyclohexan-1-amine?
N-[(3-methoxyoxolan-3-yl)methyl]-3-methylsulfonylcyclohexan-1-amine has a molecular weight of 291.41 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyoxolan-3-yl)methyl]-3-methylsulfonylcyclohexan-1-amine is sourced from PubChem (CID 104760803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).