1-(1-aminocyclohexyl)-N-ethylmethanesulfonamide

C9H20N2O2S — CID 71057607

IUPAC1-(1-aminocyclohexyl)-N-ethylmethanesulfonamide
SMILESCCNS(=O)(=O)CC1(N)CCCCC1
InChIInChI=1S/C9H20N2O2S/c1-2-11-14(12,13)8-9(10)6-4-3-5-7-9/h11H,2-8,10H2,1H3
InChIKeyAOXDIQSPTJWWDV-UHFFFAOYSA-N
MW220.34 g/mol
LogP0.59
Rot. Bonds4

About 1-(1-aminocyclohexyl)-N-ethylmethanesulfonamide

1-(1-aminocyclohexyl)-N-ethylmethanesulfonamide (PubChem CID 71057607) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 1-(1-aminocyclohexyl)-N-ethylmethanesulfonamide.

Molecular Properties

Compound Name1-(1-aminocyclohexyl)-N-ethylmethanesulfonamide
PubChem CID71057607
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC Name1-(1-aminocyclohexyl)-N-ethylmethanesulfonamide
SMILESCCNS(=O)(=O)CC1(N)CCCCC1
InChIInChI=1S/C9H20N2O2S/c1-2-11-14(12,13)8-9(10)6-4-3-5-7-9/h11H,2-8,10H2,1H3
InChIKeyAOXDIQSPTJWWDV-UHFFFAOYSA-N
XLogP0.59
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-aminocyclohexyl)-N-ethylmethanesulfonamide?
The IUPAC name of 1-(1-aminocyclohexyl)-N-ethylmethanesulfonamide (CID 71057607) is 1-(1-aminocyclohexyl)-N-ethylmethanesulfonamide.
What is the SMILES notation for 1-(1-aminocyclohexyl)-N-ethylmethanesulfonamide?
The canonical SMILES for 1-(1-aminocyclohexyl)-N-ethylmethanesulfonamide is CCNS(=O)(=O)CC1(N)CCCCC1.
What is the InChIKey of 1-(1-aminocyclohexyl)-N-ethylmethanesulfonamide?
The InChIKey is AOXDIQSPTJWWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-2-11-14(12,13)8-9(10)6-4-3-5-7-9/h11H,2-8,10H2,1H3.
What are the key properties of 1-(1-aminocyclohexyl)-N-ethylmethanesulfonamide?
1-(1-aminocyclohexyl)-N-ethylmethanesulfonamide has a molecular weight of 220.34 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminocyclohexyl)-N-ethylmethanesulfonamide is sourced from PubChem (CID 71057607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).