5-amino-N-(cyclopropylmethyl)-N-prop-2-ynyl-1,3,4-thiadiazole-2-sulfonamide

C9H12N4O2S2 — CID 113383275

IUPAC5-amino-N-(cyclopropylmethyl)-N-prop-2-ynyl-1,3,4-thiadiazole-2-sulfonamide
SMILESC#CCN(CC1CC1)S(=O)(=O)c1nnc(N)s1
InChIInChI=1S/C9H12N4O2S2/c1-2-5-13(6-7-3-4-7)17(14,15)9-12-11-8(10)16-9/h1,7H,3-6H2,(H2,10,11)
InChIKeyPSJGFZVSLZXDOZ-UHFFFAOYSA-N
MW272.35 g/mol
LogP0.15
Rot. Bonds5

About 5-amino-N-(cyclopropylmethyl)-N-prop-2-ynyl-1,3,4-thiadiazole-2-sulfonamide

5-amino-N-(cyclopropylmethyl)-N-prop-2-ynyl-1,3,4-thiadiazole-2-sulfonamide (PubChem CID 113383275) has the molecular formula C9H12N4O2S2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 5-amino-N-(cyclopropylmethyl)-N-prop-2-ynyl-1,3,4-thiadiazole-2-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(cyclopropylmethyl)-N-prop-2-ynyl-1,3,4-thiadiazole-2-sulfonamide
PubChem CID113383275
Molecular FormulaC9H12N4O2S2
Molecular Weight272.35 g/mol
Exact Mass272.04
IUPAC Name5-amino-N-(cyclopropylmethyl)-N-prop-2-ynyl-1,3,4-thiadiazole-2-sulfonamide
SMILESC#CCN(CC1CC1)S(=O)(=O)c1nnc(N)s1
InChIInChI=1S/C9H12N4O2S2/c1-2-5-13(6-7-3-4-7)17(14,15)9-12-11-8(10)16-9/h1,7H,3-6H2,(H2,10,11)
InChIKeyPSJGFZVSLZXDOZ-UHFFFAOYSA-N
XLogP0.15
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(cyclopropylmethyl)-N-prop-2-ynylbenzenesulfonamide
CID 80965589
2,5-dichloro-N-(cyclopropylmethyl)-N-prop-2-ynylthiophene-3-sulfonamide
CID 113334782
N-(cyclopropylmethyl)-N-prop-2-ynylcyclopropanesulfonamide
CID 115556536
N-(cyclopropylmethyl)-N-prop-2-ynylpyrrolidine-1-sulfonamide
CID 115556438
N-(cyclopropylmethyl)-N-prop-2-ynylpiperidine-1-sulfonamide
CID 115556534
4-chloro-N-(cyclopropylmethyl)-1-methyl-N-prop-2-ynylpyrazole-5-sulfonamide
CID 106150787
2,4-dibromo-N-(cyclopropylmethyl)-N-prop-2-ynylbenzenesulfonamide
CID 115556480
N-(cyclopropylmethyl)-2,4-dimethyl-N-prop-2-ynylbenzenesulfonamide
CID 113334751
methyl 3-[cyclopropylmethyl(prop-2-ynyl)sulfamoyl]-4-methylthiophene-2-carboxylate
CID 102749118
N-(cyclopropylmethyl)-5-fluoro-2-methyl-N-prop-2-ynylbenzenesulfonamide
CID 115556481
[tert-butylsulfamoyl(prop-2-ynyl)amino]methylcyclopropane
CID 114812579
3-bromo-N-(cyclopropylmethyl)-4-methoxy-N-prop-2-ynylbenzenesulfonamide
CID 115556504

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(cyclopropylmethyl)-N-prop-2-ynyl-1,3,4-thiadiazole-2-sulfonamide?
The IUPAC name of 5-amino-N-(cyclopropylmethyl)-N-prop-2-ynyl-1,3,4-thiadiazole-2-sulfonamide (CID 113383275) is 5-amino-N-(cyclopropylmethyl)-N-prop-2-ynyl-1,3,4-thiadiazole-2-sulfonamide.
What is the SMILES notation for 5-amino-N-(cyclopropylmethyl)-N-prop-2-ynyl-1,3,4-thiadiazole-2-sulfonamide?
The canonical SMILES for 5-amino-N-(cyclopropylmethyl)-N-prop-2-ynyl-1,3,4-thiadiazole-2-sulfonamide is C#CCN(CC1CC1)S(=O)(=O)c1nnc(N)s1.
What is the InChIKey of 5-amino-N-(cyclopropylmethyl)-N-prop-2-ynyl-1,3,4-thiadiazole-2-sulfonamide?
The InChIKey is PSJGFZVSLZXDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2S2/c1-2-5-13(6-7-3-4-7)17(14,15)9-12-11-8(10)16-9/h1,7H,3-6H2,(H2,10,11).
What are the key properties of 5-amino-N-(cyclopropylmethyl)-N-prop-2-ynyl-1,3,4-thiadiazole-2-sulfonamide?
5-amino-N-(cyclopropylmethyl)-N-prop-2-ynyl-1,3,4-thiadiazole-2-sulfonamide has a molecular weight of 272.35 g/mol, XLogP of 0.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(cyclopropylmethyl)-N-prop-2-ynyl-1,3,4-thiadiazole-2-sulfonamide is sourced from PubChem (CID 113383275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).