(2S)-2-amino-4-methylpentanoic acid;sulfamide

C6H17N3O4S — CID 90006065

IUPAC(2S)-2-amino-4-methylpentanoic acid;sulfamide
SMILESCC(C)C[C@H](N)C(=O)O.NS(N)(=O)=O
InChIInChI=1S/C6H13NO2.H4N2O2S/c1-4(2)3-5(7)6(8)9;1-5(2,3)4/h4-5H,3,7H2,1-2H3,(H,8,9);(H4,1,2,3,4)/t5-;/m0./s1
InChIKeyWHYPOFRIQXOWGV-JEDNCBNOSA-N
MW227.29 g/mol
LogP-1.41
Rot. Bonds3

About (2S)-2-amino-4-methylpentanoic acid;sulfamide

(2S)-2-amino-4-methylpentanoic acid;sulfamide (PubChem CID 90006065) has the molecular formula C6H17N3O4S and a molecular weight of 227.29 g/mol. Its IUPAC name is (2S)-2-amino-4-methylpentanoic acid;sulfamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methylpentanoic acid;sulfamide
PubChem CID90006065
Molecular FormulaC6H17N3O4S
Molecular Weight227.29 g/mol
Exact Mass227.09
IUPAC Name(2S)-2-amino-4-methylpentanoic acid;sulfamide
SMILESCC(C)C[C@H](N)C(=O)O.NS(N)(=O)=O
InChIInChI=1S/C6H13NO2.H4N2O2S/c1-4(2)3-5(7)6(8)9;1-5(2,3)4/h4-5H,3,7H2,1-2H3,(H,8,9);(H4,1,2,3,4)/t5-;/m0./s1
InChIKeyWHYPOFRIQXOWGV-JEDNCBNOSA-N
XLogP-1.41
TPSA149.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 5-1.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methylpentanoic acid;sulfamide?
The IUPAC name of (2S)-2-amino-4-methylpentanoic acid;sulfamide (CID 90006065) is (2S)-2-amino-4-methylpentanoic acid;sulfamide.
What is the SMILES notation for (2S)-2-amino-4-methylpentanoic acid;sulfamide?
The canonical SMILES for (2S)-2-amino-4-methylpentanoic acid;sulfamide is CC(C)C[C@H](N)C(=O)O.NS(N)(=O)=O.
What is the InChIKey of (2S)-2-amino-4-methylpentanoic acid;sulfamide?
The InChIKey is WHYPOFRIQXOWGV-JEDNCBNOSA-N. The full InChI is InChI=1S/C6H13NO2.H4N2O2S/c1-4(2)3-5(7)6(8)9;1-5(2,3)4/h4-5H,3,7H2,1-2H3,(H,8,9);(H4,1,2,3,4)/t5-;/m0./s1.
What are the key properties of (2S)-2-amino-4-methylpentanoic acid;sulfamide?
(2S)-2-amino-4-methylpentanoic acid;sulfamide has a molecular weight of 227.29 g/mol, XLogP of -1.41, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methylpentanoic acid;sulfamide is sourced from PubChem (CID 90006065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).