N-[(1,1-dioxothiolan-3-yl)methyl]-3-propyl-1,2,4-thiadiazol-5-amine

C10H17N3O2S2 — CID 65271129

IUPACN-[(1,1-dioxothiolan-3-yl)methyl]-3-propyl-1,2,4-thiadiazol-5-amine
SMILESCCCc1nsc(NCC2CCS(=O)(=O)C2)n1
InChIInChI=1S/C10H17N3O2S2/c1-2-3-9-12-10(16-13-9)11-6-8-4-5-17(14,15)7-8/h8H,2-7H2,1H3,(H,11,12,13)
InChIKeyKZNIQGYGNSHUML-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.34
Rot. Bonds5

About N-[(1,1-dioxothiolan-3-yl)methyl]-3-propyl-1,2,4-thiadiazol-5-amine

N-[(1,1-dioxothiolan-3-yl)methyl]-3-propyl-1,2,4-thiadiazol-5-amine (PubChem CID 65271129) has the molecular formula C10H17N3O2S2 and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[(1,1-dioxothiolan-3-yl)methyl]-3-propyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[(1,1-dioxothiolan-3-yl)methyl]-3-propyl-1,2,4-thiadiazol-5-amine
PubChem CID65271129
Molecular FormulaC10H17N3O2S2
Molecular Weight275.40 g/mol
Exact Mass275.08
IUPAC NameN-[(1,1-dioxothiolan-3-yl)methyl]-3-propyl-1,2,4-thiadiazol-5-amine
SMILESCCCc1nsc(NCC2CCS(=O)(=O)C2)n1
InChIInChI=1S/C10H17N3O2S2/c1-2-3-9-12-10(16-13-9)11-6-8-4-5-17(14,15)7-8/h8H,2-7H2,1H3,(H,11,12,13)
InChIKeyKZNIQGYGNSHUML-UHFFFAOYSA-N
XLogP1.34
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[3-(2-Methylpropyl)-1,2,4-thiadiazol-5-yl]amino]ethanesulfonamide
CID 132351371
3-ethyl-N-[(1S)-1-(1-methylsulfonylcyclopropyl)ethyl]-1,2,4-thiadiazol-5-amine
CID 164635320
N-[(1,1-dioxothiolan-3-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304788
N-[(1,1-dioxothiolan-2-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 113943979
N-(1,1-dioxothian-4-yl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 65267447
3-(butan-2-ylsulfanylmethyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
CID 65267529
N-(2-methylpropyl)-3-(propylsulfanylmethyl)-1,2,4-thiadiazol-5-amine
CID 65267700
N-(2-methylpropyl)-3-(2-methylpropylsulfanylmethyl)-1,2,4-thiadiazol-5-amine
CID 65267936
N-(2-methylpropyl)-3-(methylsulfonylmethyl)-1,2,4-thiadiazol-5-amine
CID 65268232
3-methyl-N-(3-methylsulfonylpropyl)-1,2,4-thiadiazol-5-amine
CID 65268266
N-[(1,1-dioxothiolan-3-yl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 65268321
N-(1,1-dioxothiolan-3-yl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 65268370

Frequently Asked Questions

What is the IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]-3-propyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]-3-propyl-1,2,4-thiadiazol-5-amine (CID 65271129) is N-[(1,1-dioxothiolan-3-yl)methyl]-3-propyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[(1,1-dioxothiolan-3-yl)methyl]-3-propyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[(1,1-dioxothiolan-3-yl)methyl]-3-propyl-1,2,4-thiadiazol-5-amine is CCCc1nsc(NCC2CCS(=O)(=O)C2)n1.
What is the InChIKey of N-[(1,1-dioxothiolan-3-yl)methyl]-3-propyl-1,2,4-thiadiazol-5-amine?
The InChIKey is KZNIQGYGNSHUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S2/c1-2-3-9-12-10(16-13-9)11-6-8-4-5-17(14,15)7-8/h8H,2-7H2,1H3,(H,11,12,13).
What are the key properties of N-[(1,1-dioxothiolan-3-yl)methyl]-3-propyl-1,2,4-thiadiazol-5-amine?
N-[(1,1-dioxothiolan-3-yl)methyl]-3-propyl-1,2,4-thiadiazol-5-amine has a molecular weight of 275.40 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,1-dioxothiolan-3-yl)methyl]-3-propyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65271129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).