N-(6-aminohexyl)-2-methylsulfonylacetamide

C9H20N2O3S — CID 107843916

IUPACN-(6-aminohexyl)-2-methylsulfonylacetamide
SMILESCS(=O)(=O)CC(=O)NCCCCCCN
InChIInChI=1S/C9H20N2O3S/c1-15(13,14)8-9(12)11-7-5-3-2-4-6-10/h2-8,10H2,1H3,(H,11,12)
InChIKeyDQDZNKWZJSITGA-UHFFFAOYSA-N
MW236.34 g/mol
LogP-0.33
Rot. Bonds8

About N-(6-aminohexyl)-2-methylsulfonylacetamide

N-(6-aminohexyl)-2-methylsulfonylacetamide (PubChem CID 107843916) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is N-(6-aminohexyl)-2-methylsulfonylacetamide.

Molecular Properties

Compound NameN-(6-aminohexyl)-2-methylsulfonylacetamide
PubChem CID107843916
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC NameN-(6-aminohexyl)-2-methylsulfonylacetamide
SMILESCS(=O)(=O)CC(=O)NCCCCCCN
InChIInChI=1S/C9H20N2O3S/c1-15(13,14)8-9(12)11-7-5-3-2-4-6-10/h2-8,10H2,1H3,(H,11,12)
InChIKeyDQDZNKWZJSITGA-UHFFFAOYSA-N
XLogP-0.33
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-amino-N-(3-methylsulfonylpropyl)heptanamide
CID 54904867
2-methylsulfonyl-N-(3-trimethoxysilylpropyl)acetamide
CID 140721019
butane-1,4-diamine;methanesulfonic acid
CID 160759082
N,N'-bis(12-aminododecyl)octanediamide
CID 58602052
6-amino-N-(7-aminoheptyl)hexanamide
CID 56980494
N-(6-aminohexyl)-2-chloroacetamide
CID 14484874
N,N'-bis(7-aminoheptyl)pentanediamide
CID 86136288
N-hex-5-ynyl-2-methylsulfonylacetamide
CID 103758108
CID 89207186
CID 89207186
N-(6-aminohexyl)-2-iodoacetamide
CID 129106348
N'-(6-aminohexyl)-N-methylbutanediamide
CID 155220266
N-(3-aminopropyl)-2-(diethylsulfamoyl)acetamide
CID 119409036

Frequently Asked Questions

What is the IUPAC name of N-(6-aminohexyl)-2-methylsulfonylacetamide?
The IUPAC name of N-(6-aminohexyl)-2-methylsulfonylacetamide (CID 107843916) is N-(6-aminohexyl)-2-methylsulfonylacetamide.
What is the SMILES notation for N-(6-aminohexyl)-2-methylsulfonylacetamide?
The canonical SMILES for N-(6-aminohexyl)-2-methylsulfonylacetamide is CS(=O)(=O)CC(=O)NCCCCCCN.
What is the InChIKey of N-(6-aminohexyl)-2-methylsulfonylacetamide?
The InChIKey is DQDZNKWZJSITGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-15(13,14)8-9(12)11-7-5-3-2-4-6-10/h2-8,10H2,1H3,(H,11,12).
What are the key properties of N-(6-aminohexyl)-2-methylsulfonylacetamide?
N-(6-aminohexyl)-2-methylsulfonylacetamide has a molecular weight of 236.34 g/mol, XLogP of -0.33, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-aminohexyl)-2-methylsulfonylacetamide is sourced from PubChem (CID 107843916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).