(2R)-2-[bis(methylsulfamoyl)amino]-4-methylpentanoic acid

C8H19N3O6S2 — CID 141451916

IUPAC(2R)-2-[bis(methylsulfamoyl)amino]-4-methylpentanoic acid
SMILESCNS(=O)(=O)N([C@H](CC(C)C)C(=O)O)S(=O)(=O)NC
InChIInChI=1S/C8H19N3O6S2/c1-6(2)5-7(8(12)13)11(18(14,15)9-3)19(16,17)10-4/h6-7,9-10H,5H2,1-4H3,(H,12,13)/t7-/m1/s1
InChIKeyFWZIVACWSRQMRN-SSDOTTSWSA-N
MW317.39 g/mol
LogP-1.28
Rot. Bonds8

About (2R)-2-[bis(methylsulfamoyl)amino]-4-methylpentanoic acid

(2R)-2-[bis(methylsulfamoyl)amino]-4-methylpentanoic acid (PubChem CID 141451916) has the molecular formula C8H19N3O6S2 and a molecular weight of 317.39 g/mol. Its IUPAC name is (2R)-2-[bis(methylsulfamoyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[bis(methylsulfamoyl)amino]-4-methylpentanoic acid
PubChem CID141451916
Molecular FormulaC8H19N3O6S2
Molecular Weight317.39 g/mol
Exact Mass317.07
IUPAC Name(2R)-2-[bis(methylsulfamoyl)amino]-4-methylpentanoic acid
SMILESCNS(=O)(=O)N([C@H](CC(C)C)C(=O)O)S(=O)(=O)NC
InChIInChI=1S/C8H19N3O6S2/c1-6(2)5-7(8(12)13)11(18(14,15)9-3)19(16,17)10-4/h6-7,9-10H,5H2,1-4H3,(H,12,13)/t7-/m1/s1
InChIKeyFWZIVACWSRQMRN-SSDOTTSWSA-N
XLogP-1.28
TPSA132.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 5-1.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(dibromoamino)-4-methylpentanoic acid
CID 57045725
(2S)-2-(dimethylamino)-4-methylpentanoic acid;hydrochloride
CID 138393753
(2S)-4-methyl-2-(methylsulfamoylamino)pentanoic acid
CID 104977832
(2S)-2-[bis(methoxycarbonyl)amino]-4-methylpentanoic acid
CID 174649124
(2S)-2-[hydroxy(methyl)amino]-4-methylpentanoic acid;(2S)-4-methyl-2-(methylamino)pentanoic acid
CID 87981029
2-[methoxycarbonyl(methyl)amino]-4-methylpentanoic acid
CID 10608215
2-[butan-2-yl(methylsulfamoyl)amino]acetic acid
CID 114805560
(2S)-2-[acetyl-(2-methylsulfonylethylamino)amino]-4-methylpentanoic acid
CID 175004132
4-methyl-2-[propanoyl(sulfanyl)amino]pentanoic acid
CID 87491523
(2S)-4-methyl-2-[2-methylpropanoyl(2-methylpropyl)amino]pentanoic acid
CID 54292469
2-[methyl(2-methylpropylsulfamoyl)amino]propanoic acid
CID 114814529
(2R)-4-methyl-2-(propan-2-ylsulfamoylamino)pentanoic acid
CID 104977908

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[bis(methylsulfamoyl)amino]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[bis(methylsulfamoyl)amino]-4-methylpentanoic acid (CID 141451916) is (2R)-2-[bis(methylsulfamoyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[bis(methylsulfamoyl)amino]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[bis(methylsulfamoyl)amino]-4-methylpentanoic acid is CNS(=O)(=O)N([C@H](CC(C)C)C(=O)O)S(=O)(=O)NC.
What is the InChIKey of (2R)-2-[bis(methylsulfamoyl)amino]-4-methylpentanoic acid?
The InChIKey is FWZIVACWSRQMRN-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H19N3O6S2/c1-6(2)5-7(8(12)13)11(18(14,15)9-3)19(16,17)10-4/h6-7,9-10H,5H2,1-4H3,(H,12,13)/t7-/m1/s1.
What are the key properties of (2R)-2-[bis(methylsulfamoyl)amino]-4-methylpentanoic acid?
(2R)-2-[bis(methylsulfamoyl)amino]-4-methylpentanoic acid has a molecular weight of 317.39 g/mol, XLogP of -1.28, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[bis(methylsulfamoyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 141451916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).