N-[5-(3-aminopropyl)-1,3,4-thiadiazol-2-yl]propane-1-sulfonamide

C8H16N4O2S2 — CID 82176565

IUPACN-[5-(3-aminopropyl)-1,3,4-thiadiazol-2-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1nnc(CCCN)s1
InChIInChI=1S/C8H16N4O2S2/c1-2-6-16(13,14)12-8-11-10-7(15-8)4-3-5-9/h2-6,9H2,1H3,(H,11,12)
InChIKeyWCHDOZFGIFIOTJ-UHFFFAOYSA-N
MW264.38 g/mol
LogP0.58
Rot. Bonds7

About N-[5-(3-aminopropyl)-1,3,4-thiadiazol-2-yl]propane-1-sulfonamide

N-[5-(3-aminopropyl)-1,3,4-thiadiazol-2-yl]propane-1-sulfonamide (PubChem CID 82176565) has the molecular formula C8H16N4O2S2 and a molecular weight of 264.38 g/mol. Its IUPAC name is N-[5-(3-aminopropyl)-1,3,4-thiadiazol-2-yl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[5-(3-aminopropyl)-1,3,4-thiadiazol-2-yl]propane-1-sulfonamide
PubChem CID82176565
Molecular FormulaC8H16N4O2S2
Molecular Weight264.38 g/mol
Exact Mass264.07
IUPAC NameN-[5-(3-aminopropyl)-1,3,4-thiadiazol-2-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1nnc(CCCN)s1
InChIInChI=1S/C8H16N4O2S2/c1-2-6-16(13,14)12-8-11-10-7(15-8)4-3-5-9/h2-6,9H2,1H3,(H,11,12)
InChIKeyWCHDOZFGIFIOTJ-UHFFFAOYSA-N
XLogP0.58
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.38
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-ethyl-1,3,4-thiadiazol-2-yl)ethanesulfonamide
CID 4165418
2-(2-aminoethyl)-5-(dimethylsulfamoylamino)-1,3,4-thiadiazole
CID 82176491
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-phenylethanesulfonamide
CID 75379098
methyl 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]butanoate
CID 107641516
N-[5-(3-aminopropyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 82176550
2-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]ethanesulfonamide
CID 106262441
2-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]acetic acid
CID 107641511
N-[5-(4-aminobutyl)-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
CID 82176715
N-[5-(3-aminopropyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide
CID 82176519
4-cyclohexyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 35539079
N-(5-propyl-1,3,4-thiadiazol-2-yl)formamide
CID 21239238
ethyl N-(5-butyl-1,3,4-thiadiazol-2-yl)carbamate
CID 121088928

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-aminopropyl)-1,3,4-thiadiazol-2-yl]propane-1-sulfonamide?
The IUPAC name of N-[5-(3-aminopropyl)-1,3,4-thiadiazol-2-yl]propane-1-sulfonamide (CID 82176565) is N-[5-(3-aminopropyl)-1,3,4-thiadiazol-2-yl]propane-1-sulfonamide.
What is the SMILES notation for N-[5-(3-aminopropyl)-1,3,4-thiadiazol-2-yl]propane-1-sulfonamide?
The canonical SMILES for N-[5-(3-aminopropyl)-1,3,4-thiadiazol-2-yl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1nnc(CCCN)s1.
What is the InChIKey of N-[5-(3-aminopropyl)-1,3,4-thiadiazol-2-yl]propane-1-sulfonamide?
The InChIKey is WCHDOZFGIFIOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O2S2/c1-2-6-16(13,14)12-8-11-10-7(15-8)4-3-5-9/h2-6,9H2,1H3,(H,11,12).
What are the key properties of N-[5-(3-aminopropyl)-1,3,4-thiadiazol-2-yl]propane-1-sulfonamide?
N-[5-(3-aminopropyl)-1,3,4-thiadiazol-2-yl]propane-1-sulfonamide has a molecular weight of 264.38 g/mol, XLogP of 0.58, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-aminopropyl)-1,3,4-thiadiazol-2-yl]propane-1-sulfonamide is sourced from PubChem (CID 82176565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).