5-butylsulfonyl-N-methyl-1,3,4-thiadiazol-2-amine

C7H13N3O2S2 — CID 21492385

IUPAC5-butylsulfonyl-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCCCCS(=O)(=O)c1nnc(NC)s1
InChIInChI=1S/C7H13N3O2S2/c1-3-4-5-14(11,12)7-10-9-6(8-2)13-7/h3-5H2,1-2H3,(H,8,9)
InChIKeyVRSTXIRDLOQZGJ-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.15
Rot. Bonds5

About 5-butylsulfonyl-N-methyl-1,3,4-thiadiazol-2-amine

5-butylsulfonyl-N-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 21492385) has the molecular formula C7H13N3O2S2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 5-butylsulfonyl-N-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-butylsulfonyl-N-methyl-1,3,4-thiadiazol-2-amine
PubChem CID21492385
Molecular FormulaC7H13N3O2S2
Molecular Weight235.33 g/mol
Exact Mass235.04
IUPAC Name5-butylsulfonyl-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCCCCS(=O)(=O)c1nnc(NC)s1
InChIInChI=1S/C7H13N3O2S2/c1-3-4-5-14(11,12)7-10-9-6(8-2)13-7/h3-5H2,1-2H3,(H,8,9)
InChIKeyVRSTXIRDLOQZGJ-UHFFFAOYSA-N
XLogP1.15
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(Ethylsulphonyl)-N-methyl-1,3,4-thiadiazol-2-amine
CID 11970600
5-(2-fluoroethylsulfonyl)-N-methyl-1,3,4-thiadiazol-2-amine
CID 127002287
5-(2,2-difluoroethylsulfonyl)-N-methyl-1,3,4-thiadiazol-2-amine
CID 130683326
1-(5-Ethylsulfonyl-1,3,4-thiadiazol-2-yl)-3-methylurea
CID 13650792
5-butylsulfanyl-N-methyl-1,3,4-thiadiazol-2-amine
CID 14601483
5-(Butylsulfonyl)-1,3,4-thiadiazol-2-amine
CID 20392743
N-methyl-5-propylsulfanyl-1,3,4-thiadiazol-2-amine
CID 21400059
5-butan-2-ylsulfanyl-N-methyl-1,3,4-thiadiazol-2-amine
CID 21400063
5-Propylsulfonyl-1,3,4-thiadiazol-2-amine
CID 21545028
1,1-Dimethyl-3-(5-propylsulfonyl-1,3,4-thiadiazol-2-yl)urea
CID 153742105
5-(2-methylsulfonylethylsulfanyl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 47115226
N-ethyl-5-(2-methylsulfonylethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 47119669

Frequently Asked Questions

What is the IUPAC name of 5-butylsulfonyl-N-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-butylsulfonyl-N-methyl-1,3,4-thiadiazol-2-amine (CID 21492385) is 5-butylsulfonyl-N-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-butylsulfonyl-N-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-butylsulfonyl-N-methyl-1,3,4-thiadiazol-2-amine is CCCCS(=O)(=O)c1nnc(NC)s1.
What is the InChIKey of 5-butylsulfonyl-N-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is VRSTXIRDLOQZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2S2/c1-3-4-5-14(11,12)7-10-9-6(8-2)13-7/h3-5H2,1-2H3,(H,8,9).
What are the key properties of 5-butylsulfonyl-N-methyl-1,3,4-thiadiazol-2-amine?
5-butylsulfonyl-N-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 235.33 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butylsulfonyl-N-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 21492385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).