2-[1-(methylamino)cyclohexyl]-N-propylsulfonylacetamide

C12H24N2O3S — CID 103307494

IUPAC2-[1-(methylamino)cyclohexyl]-N-propylsulfonylacetamide
SMILESCCCS(=O)(=O)NC(=O)CC1(NC)CCCCC1
InChIInChI=1S/C12H24N2O3S/c1-3-9-18(16,17)14-11(15)10-12(13-2)7-5-4-6-8-12/h13H,3-10H2,1-2H3,(H,14,15)
InChIKeyQTVXMFVBMMNFFP-UHFFFAOYSA-N
MW276.40 g/mol
LogP1.15
Rot. Bonds6

About 2-[1-(methylamino)cyclohexyl]-N-propylsulfonylacetamide

2-[1-(methylamino)cyclohexyl]-N-propylsulfonylacetamide (PubChem CID 103307494) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is 2-[1-(methylamino)cyclohexyl]-N-propylsulfonylacetamide.

Molecular Properties

Compound Name2-[1-(methylamino)cyclohexyl]-N-propylsulfonylacetamide
PubChem CID103307494
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC Name2-[1-(methylamino)cyclohexyl]-N-propylsulfonylacetamide
SMILESCCCS(=O)(=O)NC(=O)CC1(NC)CCCCC1
InChIInChI=1S/C12H24N2O3S/c1-3-9-18(16,17)14-11(15)10-12(13-2)7-5-4-6-8-12/h13H,3-10H2,1-2H3,(H,14,15)
InChIKeyQTVXMFVBMMNFFP-UHFFFAOYSA-N
XLogP1.15
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(methylsulfamoyl)ethyl]cyclohexanecarboxamide
CID 110292852
2-cyclohexyl-N-(3-sulfamoylpropyl)acetamide
CID 47066805
3-cyclohexyl-N-(3-sulfamoylpropyl)propanamide
CID 47337120
2-cyclohexyl-N-(2-sulfamoylethyl)acetamide
CID 61066527
3-cyclohexyl-N-(2-sulfamoylethyl)propanamide
CID 61066687
2-(1-aminocyclohexyl)-N-[2-(methanesulfonamido)-2-methylpropyl]acetamide
CID 64677877
2-(1-aminocyclohexyl)-N-(1-methylsulfonylpropan-2-yl)acetamide
CID 64678133
2-(1-aminocyclopentyl)-N-(3-sulfamoylpropyl)acetamide
CID 64678440
2-(1-aminocyclohexyl)-N-(3-sulfamoylpropyl)acetamide
CID 64678442
2-(1-aminocyclohexyl)-N-[3-[ethyl(methylsulfonyl)amino]propyl]acetamide
CID 64678564
2-(1-aminocyclohexyl)-N-(3-methylsulfonylpropyl)acetamide
CID 64679590
2-(1-aminocyclohexyl)-N-(2-methylsulfonylethyl)acetamide
CID 64683673

Frequently Asked Questions

What is the IUPAC name of 2-[1-(methylamino)cyclohexyl]-N-propylsulfonylacetamide?
The IUPAC name of 2-[1-(methylamino)cyclohexyl]-N-propylsulfonylacetamide (CID 103307494) is 2-[1-(methylamino)cyclohexyl]-N-propylsulfonylacetamide.
What is the SMILES notation for 2-[1-(methylamino)cyclohexyl]-N-propylsulfonylacetamide?
The canonical SMILES for 2-[1-(methylamino)cyclohexyl]-N-propylsulfonylacetamide is CCCS(=O)(=O)NC(=O)CC1(NC)CCCCC1.
What is the InChIKey of 2-[1-(methylamino)cyclohexyl]-N-propylsulfonylacetamide?
The InChIKey is QTVXMFVBMMNFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-3-9-18(16,17)14-11(15)10-12(13-2)7-5-4-6-8-12/h13H,3-10H2,1-2H3,(H,14,15).
What are the key properties of 2-[1-(methylamino)cyclohexyl]-N-propylsulfonylacetamide?
2-[1-(methylamino)cyclohexyl]-N-propylsulfonylacetamide has a molecular weight of 276.40 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(methylamino)cyclohexyl]-N-propylsulfonylacetamide is sourced from PubChem (CID 103307494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).