1-(1-aminocyclohexyl)-N,N-dimethylmethanesulfonamide

C9H20N2O2S — CID 58947953

IUPAC1-(1-aminocyclohexyl)-N,N-dimethylmethanesulfonamide
SMILESCN(C)S(=O)(=O)CC1(N)CCCCC1
InChIInChI=1S/C9H20N2O2S/c1-11(2)14(12,13)8-9(10)6-4-3-5-7-9/h3-8,10H2,1-2H3
InChIKeyVRAYCVCGWLFZOC-UHFFFAOYSA-N
MW220.34 g/mol
LogP0.54
Rot. Bonds3

About 1-(1-aminocyclohexyl)-N,N-dimethylmethanesulfonamide

1-(1-aminocyclohexyl)-N,N-dimethylmethanesulfonamide (PubChem CID 58947953) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 1-(1-aminocyclohexyl)-N,N-dimethylmethanesulfonamide.

Molecular Properties

Compound Name1-(1-aminocyclohexyl)-N,N-dimethylmethanesulfonamide
PubChem CID58947953
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC Name1-(1-aminocyclohexyl)-N,N-dimethylmethanesulfonamide
SMILESCN(C)S(=O)(=O)CC1(N)CCCCC1
InChIInChI=1S/C9H20N2O2S/c1-11(2)14(12,13)8-9(10)6-4-3-5-7-9/h3-8,10H2,1-2H3
InChIKeyVRAYCVCGWLFZOC-UHFFFAOYSA-N
XLogP0.54
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-aminocyclohexyl)-N,N-dimethylmethanesulfonamide?
The IUPAC name of 1-(1-aminocyclohexyl)-N,N-dimethylmethanesulfonamide (CID 58947953) is 1-(1-aminocyclohexyl)-N,N-dimethylmethanesulfonamide.
What is the SMILES notation for 1-(1-aminocyclohexyl)-N,N-dimethylmethanesulfonamide?
The canonical SMILES for 1-(1-aminocyclohexyl)-N,N-dimethylmethanesulfonamide is CN(C)S(=O)(=O)CC1(N)CCCCC1.
What is the InChIKey of 1-(1-aminocyclohexyl)-N,N-dimethylmethanesulfonamide?
The InChIKey is VRAYCVCGWLFZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-11(2)14(12,13)8-9(10)6-4-3-5-7-9/h3-8,10H2,1-2H3.
What are the key properties of 1-(1-aminocyclohexyl)-N,N-dimethylmethanesulfonamide?
1-(1-aminocyclohexyl)-N,N-dimethylmethanesulfonamide has a molecular weight of 220.34 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminocyclohexyl)-N,N-dimethylmethanesulfonamide is sourced from PubChem (CID 58947953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).