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

C10H20N2O4S — CID 67154280

IUPAC(2S)-2-amino-4-(cyclohexylsulfamoyl)butanoic acid
SMILESN[C@@H](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)/t9-/m0/s1
InChIKeyMWYJDJJMWPZQRZ-VIFPVBQESA-N
MW264.35 g/mol
LogP0.04
Rot. Bonds6

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

(2S)-2-amino-4-(cyclohexylsulfamoyl)butanoic acid (PubChem CID 67154280) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is (2S)-2-amino-4-(cyclohexylsulfamoyl)butanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-4-(cyclohexylsulfamoyl)butanoic acid
PubChem CID67154280
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Name(2S)-2-amino-4-(cyclohexylsulfamoyl)butanoic acid
SMILESN[C@@H](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)/t9-/m0/s1
InChIKeyMWYJDJJMWPZQRZ-VIFPVBQESA-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 (2S)-2-amino-4-(cyclohexylsulfamoyl)butanoic acid?
The IUPAC name of (2S)-2-amino-4-(cyclohexylsulfamoyl)butanoic acid (CID 67154280) is (2S)-2-amino-4-(cyclohexylsulfamoyl)butanoic acid.
What is the SMILES notation for (2S)-2-amino-4-(cyclohexylsulfamoyl)butanoic acid?
The canonical SMILES for (2S)-2-amino-4-(cyclohexylsulfamoyl)butanoic acid is N[C@@H](CCS(=O)(=O)NC1CCCCC1)C(=O)O.
What is the InChIKey of (2S)-2-amino-4-(cyclohexylsulfamoyl)butanoic acid?
The InChIKey is MWYJDJJMWPZQRZ-VIFPVBQESA-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)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-4-(cyclohexylsulfamoyl)butanoic acid?
(2S)-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 (2S)-2-amino-4-(cyclohexylsulfamoyl)butanoic acid is sourced from PubChem (CID 67154280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).