2-amino-4-(cyclohexylsulfamoylamino)butanoic acid

C10H21N3O4S — CID 70945659

IUPAC2-amino-4-(cyclohexylsulfamoylamino)butanoic acid
SMILESNC(CCNS(=O)(=O)NC1CCCCC1)C(=O)O
InChIInChI=1S/C10H21N3O4S/c11-9(10(14)15)6-7-12-18(16,17)13-8-4-2-1-3-5-8/h8-9,12-13H,1-7,11H2,(H,14,15)
InChIKeyAVTXKQFEKVXQBY-UHFFFAOYSA-N
MW279.36 g/mol
LogP-0.45
Rot. Bonds7

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

2-amino-4-(cyclohexylsulfamoylamino)butanoic acid (PubChem CID 70945659) has the molecular formula C10H21N3O4S and a molecular weight of 279.36 g/mol. Its IUPAC name is 2-amino-4-(cyclohexylsulfamoylamino)butanoic acid.

Molecular Properties

Compound Name2-amino-4-(cyclohexylsulfamoylamino)butanoic acid
PubChem CID70945659
Molecular FormulaC10H21N3O4S
Molecular Weight279.36 g/mol
Exact Mass279.13
IUPAC Name2-amino-4-(cyclohexylsulfamoylamino)butanoic acid
SMILESNC(CCNS(=O)(=O)NC1CCCCC1)C(=O)O
InChIInChI=1S/C10H21N3O4S/c11-9(10(14)15)6-7-12-18(16,17)13-8-4-2-1-3-5-8/h8-9,12-13H,1-7,11H2,(H,14,15)
InChIKeyAVTXKQFEKVXQBY-UHFFFAOYSA-N
XLogP-0.45
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 5-0.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(cyclohexylsulfamoylamino)butanoic acid?
The IUPAC name of 2-amino-4-(cyclohexylsulfamoylamino)butanoic acid (CID 70945659) is 2-amino-4-(cyclohexylsulfamoylamino)butanoic acid.
What is the SMILES notation for 2-amino-4-(cyclohexylsulfamoylamino)butanoic acid?
The canonical SMILES for 2-amino-4-(cyclohexylsulfamoylamino)butanoic acid is NC(CCNS(=O)(=O)NC1CCCCC1)C(=O)O.
What is the InChIKey of 2-amino-4-(cyclohexylsulfamoylamino)butanoic acid?
The InChIKey is AVTXKQFEKVXQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O4S/c11-9(10(14)15)6-7-12-18(16,17)13-8-4-2-1-3-5-8/h8-9,12-13H,1-7,11H2,(H,14,15).
What are the key properties of 2-amino-4-(cyclohexylsulfamoylamino)butanoic acid?
2-amino-4-(cyclohexylsulfamoylamino)butanoic acid has a molecular weight of 279.36 g/mol, XLogP of -0.45, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(cyclohexylsulfamoylamino)butanoic acid is sourced from PubChem (CID 70945659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).