(2S)-2-(diethylsulfamoylamino)-4-methylpentanoic acid

C10H22N2O4S — CID 28783957

IUPAC(2S)-2-(diethylsulfamoylamino)-4-methylpentanoic acid
SMILESCCN(CC)S(=O)(=O)N[C@@H](CC(C)C)C(=O)O
InChIInChI=1S/C10H22N2O4S/c1-5-12(6-2)17(15,16)11-9(10(13)14)7-8(3)4/h8-9,11H,5-7H2,1-4H3,(H,13,14)/t9-/m0/s1
InChIKeyNWRJBENOJGBALY-VIFPVBQESA-N
MW266.36 g/mol
LogP0.66
Rot. Bonds8

About (2S)-2-(diethylsulfamoylamino)-4-methylpentanoic acid

(2S)-2-(diethylsulfamoylamino)-4-methylpentanoic acid (PubChem CID 28783957) has the molecular formula C10H22N2O4S and a molecular weight of 266.36 g/mol. Its IUPAC name is (2S)-2-(diethylsulfamoylamino)-4-methylpentanoic acid.

Molecular Properties

Compound Name(2S)-2-(diethylsulfamoylamino)-4-methylpentanoic acid
PubChem CID28783957
Molecular FormulaC10H22N2O4S
Molecular Weight266.36 g/mol
Exact Mass266.13
IUPAC Name(2S)-2-(diethylsulfamoylamino)-4-methylpentanoic acid
SMILESCCN(CC)S(=O)(=O)N[C@@H](CC(C)C)C(=O)O
InChIInChI=1S/C10H22N2O4S/c1-5-12(6-2)17(15,16)11-9(10(13)14)7-8(3)4/h8-9,11H,5-7H2,1-4H3,(H,13,14)/t9-/m0/s1
InChIKeyNWRJBENOJGBALY-VIFPVBQESA-N
XLogP0.66
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(diethylsulfamoylamino)-4-methylpentanoic acid?
The IUPAC name of (2S)-2-(diethylsulfamoylamino)-4-methylpentanoic acid (CID 28783957) is (2S)-2-(diethylsulfamoylamino)-4-methylpentanoic acid.
What is the SMILES notation for (2S)-2-(diethylsulfamoylamino)-4-methylpentanoic acid?
The canonical SMILES for (2S)-2-(diethylsulfamoylamino)-4-methylpentanoic acid is CCN(CC)S(=O)(=O)N[C@@H](CC(C)C)C(=O)O.
What is the InChIKey of (2S)-2-(diethylsulfamoylamino)-4-methylpentanoic acid?
The InChIKey is NWRJBENOJGBALY-VIFPVBQESA-N. The full InChI is InChI=1S/C10H22N2O4S/c1-5-12(6-2)17(15,16)11-9(10(13)14)7-8(3)4/h8-9,11H,5-7H2,1-4H3,(H,13,14)/t9-/m0/s1.
What are the key properties of (2S)-2-(diethylsulfamoylamino)-4-methylpentanoic acid?
(2S)-2-(diethylsulfamoylamino)-4-methylpentanoic acid has a molecular weight of 266.36 g/mol, XLogP of 0.66, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(diethylsulfamoylamino)-4-methylpentanoic acid is sourced from PubChem (CID 28783957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).