2-(1-aminohexan-2-ylsulfamoyl)acetic acid

C8H18N2O4S — CID 80698128

IUPAC2-(1-aminohexan-2-ylsulfamoyl)acetic acid
SMILESCCCCC(CN)NS(=O)(=O)CC(=O)O
InChIInChI=1S/C8H18N2O4S/c1-2-3-4-7(5-9)10-15(13,14)6-8(11)12/h7,10H,2-6,9H2,1H3,(H,11,12)
InChIKeyWWOJZKVFFCQPHR-UHFFFAOYSA-N
MW238.31 g/mol
LogP-0.49
Rot. Bonds8

About 2-(1-aminohexan-2-ylsulfamoyl)acetic acid

2-(1-aminohexan-2-ylsulfamoyl)acetic acid (PubChem CID 80698128) has the molecular formula C8H18N2O4S and a molecular weight of 238.31 g/mol. Its IUPAC name is 2-(1-aminohexan-2-ylsulfamoyl)acetic acid.

Molecular Properties

Compound Name2-(1-aminohexan-2-ylsulfamoyl)acetic acid
PubChem CID80698128
Molecular FormulaC8H18N2O4S
Molecular Weight238.31 g/mol
Exact Mass238.10
IUPAC Name2-(1-aminohexan-2-ylsulfamoyl)acetic acid
SMILESCCCCC(CN)NS(=O)(=O)CC(=O)O
InChIInChI=1S/C8H18N2O4S/c1-2-3-4-7(5-9)10-15(13,14)6-8(11)12/h7,10H,2-6,9H2,1H3,(H,11,12)
InChIKeyWWOJZKVFFCQPHR-UHFFFAOYSA-N
XLogP-0.49
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-aminopentan-2-ylsulfamoyl)acetic acid
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1-amino-2-(sulfamoylamino)hexane
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N-(1-aminohexan-2-yl)-2,2-dimethylpropane-1-sulfonamide
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2-N-(propan-2-ylsulfamoyl)hexane-1,2-diamine;hydrochloride
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1-amino-2-(dipropylsulfamoylamino)hexane
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N-(1-aminohexan-2-yl)-1-(4-fluorophenyl)methanesulfonamide
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N-(1-aminohexan-2-yl)benzenesulfonamide;hydrochloride
CID 119993034
methyl 4-(1-aminopentan-2-ylsulfamoyl)butanoate
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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminohexan-2-ylsulfamoyl)acetic acid?
The IUPAC name of 2-(1-aminohexan-2-ylsulfamoyl)acetic acid (CID 80698128) is 2-(1-aminohexan-2-ylsulfamoyl)acetic acid.
What is the SMILES notation for 2-(1-aminohexan-2-ylsulfamoyl)acetic acid?
The canonical SMILES for 2-(1-aminohexan-2-ylsulfamoyl)acetic acid is CCCCC(CN)NS(=O)(=O)CC(=O)O.
What is the InChIKey of 2-(1-aminohexan-2-ylsulfamoyl)acetic acid?
The InChIKey is WWOJZKVFFCQPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O4S/c1-2-3-4-7(5-9)10-15(13,14)6-8(11)12/h7,10H,2-6,9H2,1H3,(H,11,12).
What are the key properties of 2-(1-aminohexan-2-ylsulfamoyl)acetic acid?
2-(1-aminohexan-2-ylsulfamoyl)acetic acid has a molecular weight of 238.31 g/mol, XLogP of -0.49, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminohexan-2-ylsulfamoyl)acetic acid is sourced from PubChem (CID 80698128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).