N-tert-butyl-5-butylsulfonyl-1,3,4-thiadiazol-2-amine

C10H19N3O2S2 — CID 51108303

IUPACN-tert-butyl-5-butylsulfonyl-1,3,4-thiadiazol-2-amine
SMILESCCCCS(=O)(=O)c1nnc(NC(C)(C)C)s1
InChIInChI=1S/C10H19N3O2S2/c1-5-6-7-17(14,15)9-13-12-8(16-9)11-10(2,3)4/h5-7H2,1-4H3,(H,11,12)
InChIKeyJMSGODPYMUYFEV-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.32
Rot. Bonds5

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

N-tert-butyl-5-butylsulfonyl-1,3,4-thiadiazol-2-amine (PubChem CID 51108303) has the molecular formula C10H19N3O2S2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-tert-butyl-5-butylsulfonyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-tert-butyl-5-butylsulfonyl-1,3,4-thiadiazol-2-amine
PubChem CID51108303
Molecular FormulaC10H19N3O2S2
Molecular Weight277.41 g/mol
Exact Mass277.09
IUPAC NameN-tert-butyl-5-butylsulfonyl-1,3,4-thiadiazol-2-amine
SMILESCCCCS(=O)(=O)c1nnc(NC(C)(C)C)s1
InChIInChI=1S/C10H19N3O2S2/c1-5-6-7-17(14,15)9-13-12-8(16-9)11-10(2,3)4/h5-7H2,1-4H3,(H,11,12)
InChIKeyJMSGODPYMUYFEV-UHFFFAOYSA-N
XLogP2.32
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-butylsulfonyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-tert-butyl-5-butylsulfonyl-1,3,4-thiadiazol-2-amine (CID 51108303) is N-tert-butyl-5-butylsulfonyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-tert-butyl-5-butylsulfonyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-tert-butyl-5-butylsulfonyl-1,3,4-thiadiazol-2-amine is CCCCS(=O)(=O)c1nnc(NC(C)(C)C)s1.
What is the InChIKey of N-tert-butyl-5-butylsulfonyl-1,3,4-thiadiazol-2-amine?
The InChIKey is JMSGODPYMUYFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S2/c1-5-6-7-17(14,15)9-13-12-8(16-9)11-10(2,3)4/h5-7H2,1-4H3,(H,11,12).
What are the key properties of N-tert-butyl-5-butylsulfonyl-1,3,4-thiadiazol-2-amine?
N-tert-butyl-5-butylsulfonyl-1,3,4-thiadiazol-2-amine has a molecular weight of 277.41 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-butylsulfonyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 51108303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).