(2S)-2-amino-3-methyl-N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)butanamide

C8H15N5O3S2 — CID 22850540

IUPAC(2S)-2-amino-3-methyl-N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)butanamide
SMILESCC(C)[C@H](N)C(=O)/N=c1\sc(S(N)(=O)=O)nn1C
InChIInChI=1S/C8H15N5O3S2/c1-4(2)5(9)6(14)11-7-13(3)12-8(17-7)18(10,15)16/h4-5H,9H2,1-3H3,(H2,10,15,16)/b11-7-/t5-/m0/s1
InChIKeyMHLXJWFBIVIZMJ-YQAYSKQASA-N
MW293.37 g/mol
LogP-1.46
Rot. Bonds3

About (2S)-2-amino-3-methyl-N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)butanamide

(2S)-2-amino-3-methyl-N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)butanamide (PubChem CID 22850540) has the molecular formula C8H15N5O3S2 and a molecular weight of 293.37 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)butanamide
PubChem CID22850540
Molecular FormulaC8H15N5O3S2
Molecular Weight293.37 g/mol
Exact Mass293.06
IUPAC Name(2S)-2-amino-3-methyl-N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)butanamide
SMILESCC(C)[C@H](N)C(=O)/N=c1\sc(S(N)(=O)=O)nn1C
InChIInChI=1S/C8H15N5O3S2/c1-4(2)5(9)6(14)11-7-13(3)12-8(17-7)18(10,15)16/h4-5H,9H2,1-3H3,(H2,10,15,16)/b11-7-/t5-/m0/s1
InChIKeyMHLXJWFBIVIZMJ-YQAYSKQASA-N
XLogP-1.46
TPSA133.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 5-1.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)butanamide?
The IUPAC name of (2S)-2-amino-3-methyl-N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)butanamide (CID 22850540) is (2S)-2-amino-3-methyl-N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)butanamide.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)butanamide?
The canonical SMILES for (2S)-2-amino-3-methyl-N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)butanamide is CC(C)[C@H](N)C(=O)/N=c1\sc(S(N)(=O)=O)nn1C.
What is the InChIKey of (2S)-2-amino-3-methyl-N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)butanamide?
The InChIKey is MHLXJWFBIVIZMJ-YQAYSKQASA-N. The full InChI is InChI=1S/C8H15N5O3S2/c1-4(2)5(9)6(14)11-7-13(3)12-8(17-7)18(10,15)16/h4-5H,9H2,1-3H3,(H2,10,15,16)/b11-7-/t5-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)butanamide?
(2S)-2-amino-3-methyl-N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)butanamide has a molecular weight of 293.37 g/mol, XLogP of -1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)butanamide is sourced from PubChem (CID 22850540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).