2-[(1-aminocyclohexyl)methylsulfamoyl]acetic acid

C9H18N2O4S — CID 61358963

IUPAC2-[(1-aminocyclohexyl)methylsulfamoyl]acetic acid
SMILESNC1(CNS(=O)(=O)CC(=O)O)CCCCC1
InChIInChI=1S/C9H18N2O4S/c10-9(4-2-1-3-5-9)7-11-16(14,15)6-8(12)13/h11H,1-7,10H2,(H,12,13)
InChIKeyWNZGTIFNTIRZFX-UHFFFAOYSA-N
MW250.32 g/mol
LogP-0.35
Rot. Bonds5

About 2-[(1-aminocyclohexyl)methylsulfamoyl]acetic acid

2-[(1-aminocyclohexyl)methylsulfamoyl]acetic acid (PubChem CID 61358963) has the molecular formula C9H18N2O4S and a molecular weight of 250.32 g/mol. Its IUPAC name is 2-[(1-aminocyclohexyl)methylsulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[(1-aminocyclohexyl)methylsulfamoyl]acetic acid
PubChem CID61358963
Molecular FormulaC9H18N2O4S
Molecular Weight250.32 g/mol
Exact Mass250.10
IUPAC Name2-[(1-aminocyclohexyl)methylsulfamoyl]acetic acid
SMILESNC1(CNS(=O)(=O)CC(=O)O)CCCCC1
InChIInChI=1S/C9H18N2O4S/c10-9(4-2-1-3-5-9)7-11-16(14,15)6-8(12)13/h11H,1-7,10H2,(H,12,13)
InChIKeyWNZGTIFNTIRZFX-UHFFFAOYSA-N
XLogP-0.35
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(aminomethyl)cyclohexyl]-2-hydroxyethanesulfonamide
CID 90239526
2-[(4-Methylcyclohexyl)sulfamoyl]acetic acid
CID 28773577
3-(Cyclohexylmethylsulfamoyl)propanoic acid
CID 43173082
3-[(4-Methylcyclohexyl)sulfamoyl]propanoic acid
CID 43209528
3-[(2-Methylcyclohexyl)sulfamoyl]propanoic acid
CID 43209542
2-[(2-Methylcyclohexyl)sulfamoyl]acetic acid
CID 43209544
2-[(3-Methylcyclohexyl)sulfamoyl]acetic acid
CID 43317815
3-[(3-Methylcyclohexyl)sulfamoyl]propanoic acid
CID 43317819
2-(Cyclohexylmethylsulfamoyl)acetic acid
CID 43362043
4-(Cyclohexylmethylsulfamoyl)butanoic acid
CID 43362044
2-[(2-Ethylcyclohexyl)sulfamoyl]acetic acid
CID 43711208
2-(2-Cyclohexylethylsulfamoyl)propanoic acid
CID 54947176

Frequently Asked Questions

What is the IUPAC name of 2-[(1-aminocyclohexyl)methylsulfamoyl]acetic acid?
The IUPAC name of 2-[(1-aminocyclohexyl)methylsulfamoyl]acetic acid (CID 61358963) is 2-[(1-aminocyclohexyl)methylsulfamoyl]acetic acid.
What is the SMILES notation for 2-[(1-aminocyclohexyl)methylsulfamoyl]acetic acid?
The canonical SMILES for 2-[(1-aminocyclohexyl)methylsulfamoyl]acetic acid is NC1(CNS(=O)(=O)CC(=O)O)CCCCC1.
What is the InChIKey of 2-[(1-aminocyclohexyl)methylsulfamoyl]acetic acid?
The InChIKey is WNZGTIFNTIRZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4S/c10-9(4-2-1-3-5-9)7-11-16(14,15)6-8(12)13/h11H,1-7,10H2,(H,12,13).
What are the key properties of 2-[(1-aminocyclohexyl)methylsulfamoyl]acetic acid?
2-[(1-aminocyclohexyl)methylsulfamoyl]acetic acid has a molecular weight of 250.32 g/mol, XLogP of -0.35, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-aminocyclohexyl)methylsulfamoyl]acetic acid is sourced from PubChem (CID 61358963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).