2-(1-aminocyclohexyl)-N-ethylsulfonylacetamide

C10H20N2O3S — CID 103307047

IUPAC2-(1-aminocyclohexyl)-N-ethylsulfonylacetamide
SMILESCCS(=O)(=O)NC(=O)CC1(N)CCCCC1
InChIInChI=1S/C10H20N2O3S/c1-2-16(14,15)12-9(13)8-10(11)6-4-3-5-7-10/h2-8,11H2,1H3,(H,12,13)
InChIKeyXWFJSYCCALOJEZ-UHFFFAOYSA-N
MW248.35 g/mol
LogP0.50
Rot. Bonds4

About 2-(1-aminocyclohexyl)-N-ethylsulfonylacetamide

2-(1-aminocyclohexyl)-N-ethylsulfonylacetamide (PubChem CID 103307047) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-(1-aminocyclohexyl)-N-ethylsulfonylacetamide.

Molecular Properties

Compound Name2-(1-aminocyclohexyl)-N-ethylsulfonylacetamide
PubChem CID103307047
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC Name2-(1-aminocyclohexyl)-N-ethylsulfonylacetamide
SMILESCCS(=O)(=O)NC(=O)CC1(N)CCCCC1
InChIInChI=1S/C10H20N2O3S/c1-2-16(14,15)12-9(13)8-10(11)6-4-3-5-7-10/h2-8,11H2,1H3,(H,12,13)
InChIKeyXWFJSYCCALOJEZ-UHFFFAOYSA-N
XLogP0.50
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclohexyl-N-(cyclopropylmethylsulfonyl)propanamide
CID 72014927
N-(2-methylpropylsulfonyl)-4-propan-2-ylcyclohexane-1-carboxamide
CID 136580653
1-(Methanesulfonamido)cyclohexane-1-carboxamide
CID 47410821
trans-(4R,5S)-4-amino-4,5-dimethyl-1,1-dioxo-1lambda6-thia-2-azacyclododecan-3-one
CID 163657773
2-[1-(methylamino)cyclohexyl]-N-(2-sulfamoylethyl)acetamide
CID 65240880
2-[1-(methylamino)cyclohexyl]-N-(3-sulfamoylpropyl)acetamide
CID 65242038
1-amino-N-methylsulfonylcyclohexane-1-carboxamide
CID 103287265
2-[1-(methylamino)cyclohexyl]-N-methylsulfonylacetamide
CID 103287573
2-(1-aminocyclohexyl)-N-methylsulfonylacetamide
CID 103287639
2-(1-aminocyclopentyl)-N-methylsulfonylacetamide
CID 103287687
1-amino-N-ethylsulfonylcyclohexane-1-carboxamide
CID 103306713
2-amino-N-ethylsulfonylcyclohexane-1-carboxamide
CID 103306731

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclohexyl)-N-ethylsulfonylacetamide?
The IUPAC name of 2-(1-aminocyclohexyl)-N-ethylsulfonylacetamide (CID 103307047) is 2-(1-aminocyclohexyl)-N-ethylsulfonylacetamide.
What is the SMILES notation for 2-(1-aminocyclohexyl)-N-ethylsulfonylacetamide?
The canonical SMILES for 2-(1-aminocyclohexyl)-N-ethylsulfonylacetamide is CCS(=O)(=O)NC(=O)CC1(N)CCCCC1.
What is the InChIKey of 2-(1-aminocyclohexyl)-N-ethylsulfonylacetamide?
The InChIKey is XWFJSYCCALOJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-2-16(14,15)12-9(13)8-10(11)6-4-3-5-7-10/h2-8,11H2,1H3,(H,12,13).
What are the key properties of 2-(1-aminocyclohexyl)-N-ethylsulfonylacetamide?
2-(1-aminocyclohexyl)-N-ethylsulfonylacetamide has a molecular weight of 248.35 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclohexyl)-N-ethylsulfonylacetamide is sourced from PubChem (CID 103307047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).