(2S)-6-amino-2-(sulfamoylamino)hexanoic acid

C6H15N3O4S — CID 87901223

IUPAC(2S)-6-amino-2-(sulfamoylamino)hexanoic acid
SMILESNCCCC[C@H](NS(N)(=O)=O)C(=O)O
InChIInChI=1S/C6H15N3O4S/c7-4-2-1-3-5(6(10)11)9-14(8,12)13/h5,9H,1-4,7H2,(H,10,11)(H2,8,12,13)/t5-/m0/s1
InChIKeyIASBEZUWLDLXMF-YFKPBYRVSA-N
MW225.27 g/mol
LogP-1.64
Rot. Bonds7

About (2S)-6-amino-2-(sulfamoylamino)hexanoic acid

(2S)-6-amino-2-(sulfamoylamino)hexanoic acid (PubChem CID 87901223) has the molecular formula C6H15N3O4S and a molecular weight of 225.27 g/mol. Its IUPAC name is (2S)-6-amino-2-(sulfamoylamino)hexanoic acid.

Molecular Properties

Compound Name(2S)-6-amino-2-(sulfamoylamino)hexanoic acid
PubChem CID87901223
Molecular FormulaC6H15N3O4S
Molecular Weight225.27 g/mol
Exact Mass225.08
IUPAC Name(2S)-6-amino-2-(sulfamoylamino)hexanoic acid
SMILESNCCCC[C@H](NS(N)(=O)=O)C(=O)O
InChIInChI=1S/C6H15N3O4S/c7-4-2-1-3-5(6(10)11)9-14(8,12)13/h5,9H,1-4,7H2,(H,10,11)(H2,8,12,13)/t5-/m0/s1
InChIKeyIASBEZUWLDLXMF-YFKPBYRVSA-N
XLogP-1.64
TPSA135.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 5-1.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-6-amino-2-(sulfamoylamino)hexanoic acid?
The IUPAC name of (2S)-6-amino-2-(sulfamoylamino)hexanoic acid (CID 87901223) is (2S)-6-amino-2-(sulfamoylamino)hexanoic acid.
What is the SMILES notation for (2S)-6-amino-2-(sulfamoylamino)hexanoic acid?
The canonical SMILES for (2S)-6-amino-2-(sulfamoylamino)hexanoic acid is NCCCC[C@H](NS(N)(=O)=O)C(=O)O.
What is the InChIKey of (2S)-6-amino-2-(sulfamoylamino)hexanoic acid?
The InChIKey is IASBEZUWLDLXMF-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H15N3O4S/c7-4-2-1-3-5(6(10)11)9-14(8,12)13/h5,9H,1-4,7H2,(H,10,11)(H2,8,12,13)/t5-/m0/s1.
What are the key properties of (2S)-6-amino-2-(sulfamoylamino)hexanoic acid?
(2S)-6-amino-2-(sulfamoylamino)hexanoic acid has a molecular weight of 225.27 g/mol, XLogP of -1.64, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-amino-2-(sulfamoylamino)hexanoic acid is sourced from PubChem (CID 87901223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).