2-amino-4-(cyclohexylsulfamoyl)butanoic acid

C10H20N2O4S — CID 70945693

IUPAC2-amino-4-(cyclohexylsulfamoyl)butanoic acid
SMILESNC(CCS(=O)(=O)NC1CCCCC1)C(=O)O
InChIInChI=1S/C10H20N2O4S/c11-9(10(13)14)6-7-17(15,16)12-8-4-2-1-3-5-8/h8-9,12H,1-7,11H2,(H,13,14)
InChIKeyMWYJDJJMWPZQRZ-UHFFFAOYSA-N
MW264.35 g/mol
LogP0.04
Rot. Bonds6

About 2-amino-4-(cyclohexylsulfamoyl)butanoic acid

2-amino-4-(cyclohexylsulfamoyl)butanoic acid (PubChem CID 70945693) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-amino-4-(cyclohexylsulfamoyl)butanoic acid.

Molecular Properties

Compound Name2-amino-4-(cyclohexylsulfamoyl)butanoic acid
PubChem CID70945693
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Name2-amino-4-(cyclohexylsulfamoyl)butanoic acid
SMILESNC(CCS(=O)(=O)NC1CCCCC1)C(=O)O
InChIInChI=1S/C10H20N2O4S/c11-9(10(13)14)6-7-17(15,16)12-8-4-2-1-3-5-8/h8-9,12H,1-7,11H2,(H,13,14)
InChIKeyMWYJDJJMWPZQRZ-UHFFFAOYSA-N
XLogP0.04
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(cyclohexylsulfamoyl)butanoic acid?
The IUPAC name of 2-amino-4-(cyclohexylsulfamoyl)butanoic acid (CID 70945693) is 2-amino-4-(cyclohexylsulfamoyl)butanoic acid.
What is the SMILES notation for 2-amino-4-(cyclohexylsulfamoyl)butanoic acid?
The canonical SMILES for 2-amino-4-(cyclohexylsulfamoyl)butanoic acid is NC(CCS(=O)(=O)NC1CCCCC1)C(=O)O.
What is the InChIKey of 2-amino-4-(cyclohexylsulfamoyl)butanoic acid?
The InChIKey is MWYJDJJMWPZQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c11-9(10(13)14)6-7-17(15,16)12-8-4-2-1-3-5-8/h8-9,12H,1-7,11H2,(H,13,14).
What are the key properties of 2-amino-4-(cyclohexylsulfamoyl)butanoic acid?
2-amino-4-(cyclohexylsulfamoyl)butanoic acid has a molecular weight of 264.35 g/mol, XLogP of 0.04, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(cyclohexylsulfamoyl)butanoic acid is sourced from PubChem (CID 70945693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).