5-amino-N-methylsulfonylpentanamide

C6H14N2O3S — CID 103287281

IUPAC5-amino-N-methylsulfonylpentanamide
SMILESCS(=O)(=O)NC(=O)CCCCN
InChIInChI=1S/C6H14N2O3S/c1-12(10,11)8-6(9)4-2-3-5-7/h2-5,7H2,1H3,(H,8,9)
InChIKeyAYQBPGLURGRFAR-UHFFFAOYSA-N
MW194.26 g/mol
LogP-0.81
Rot. Bonds5

About 5-amino-N-methylsulfonylpentanamide

5-amino-N-methylsulfonylpentanamide (PubChem CID 103287281) has the molecular formula C6H14N2O3S and a molecular weight of 194.26 g/mol. Its IUPAC name is 5-amino-N-methylsulfonylpentanamide.

Molecular Properties

Compound Name5-amino-N-methylsulfonylpentanamide
PubChem CID103287281
Molecular FormulaC6H14N2O3S
Molecular Weight194.26 g/mol
Exact Mass194.07
IUPAC Name5-amino-N-methylsulfonylpentanamide
SMILESCS(=O)(=O)NC(=O)CCCCN
InChIInChI=1S/C6H14N2O3S/c1-12(10,11)8-6(9)4-2-3-5-7/h2-5,7H2,1H3,(H,8,9)
InChIKeyAYQBPGLURGRFAR-UHFFFAOYSA-N
XLogP-0.81
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 5-0.81
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

3-amino-N-methylsulfonylpropanamide
CID 14028235
6-amino-4-methyl-N-methylsulfonylhexanamide
CID 103287350
butane-1,4-diamine;methanesulfonic acid
CID 160759082
5-amino-N-(2-methyl-2-methylsulfonylpropyl)pentanamide
CID 79550040
6-amino-N-[2-(methanesulfonamido)-2-methylpropyl]hexanamide
CID 63865751
7-amino-N-(2-methyl-2-methylsulfonylpropyl)heptanamide
CID 79550577
7-amino-N-(3-methylsulfonylpropyl)heptanamide
CID 54904867
20-amino-N-hydroxyicosanamide
CID 87686702
14-amino-N-hydroxytetradecanamide
CID 87686192
27-amino-N-hydroxyheptacosanamide
CID 87684790
6-amino-N-[2-(methanesulfonamido)phenyl]hexanamide
CID 43710875
[3-(methanesulfonamido)-3-oxopropyl]carbamic acid
CID 87207145

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-methylsulfonylpentanamide?
The IUPAC name of 5-amino-N-methylsulfonylpentanamide (CID 103287281) is 5-amino-N-methylsulfonylpentanamide.
What is the SMILES notation for 5-amino-N-methylsulfonylpentanamide?
The canonical SMILES for 5-amino-N-methylsulfonylpentanamide is CS(=O)(=O)NC(=O)CCCCN.
What is the InChIKey of 5-amino-N-methylsulfonylpentanamide?
The InChIKey is AYQBPGLURGRFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O3S/c1-12(10,11)8-6(9)4-2-3-5-7/h2-5,7H2,1H3,(H,8,9).
What are the key properties of 5-amino-N-methylsulfonylpentanamide?
5-amino-N-methylsulfonylpentanamide has a molecular weight of 194.26 g/mol, XLogP of -0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-methylsulfonylpentanamide is sourced from PubChem (CID 103287281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).