5-amino-N-[2-(cyclohexen-1-yl)ethyl]-1,3,4-thiadiazole-2-sulfonamide

C10H16N4O2S2 — CID 107855936

IUPAC5-amino-N-[2-(cyclohexen-1-yl)ethyl]-1,3,4-thiadiazole-2-sulfonamide
SMILESNc1nnc(S(=O)(=O)NCCC2=CCCCC2)s1
InChIInChI=1S/C10H16N4O2S2/c11-9-13-14-10(17-9)18(15,16)12-7-6-8-4-2-1-3-5-8/h4,12H,1-3,5-7H2,(H2,11,13)
InChIKeyDQDMBUMQDFQUSK-UHFFFAOYSA-N
MW288.40 g/mol
LogP1.29
Rot. Bonds5

About 5-amino-N-[2-(cyclohexen-1-yl)ethyl]-1,3,4-thiadiazole-2-sulfonamide

5-amino-N-[2-(cyclohexen-1-yl)ethyl]-1,3,4-thiadiazole-2-sulfonamide (PubChem CID 107855936) has the molecular formula C10H16N4O2S2 and a molecular weight of 288.40 g/mol. Its IUPAC name is 5-amino-N-[2-(cyclohexen-1-yl)ethyl]-1,3,4-thiadiazole-2-sulfonamide.

Molecular Properties

Compound Name5-amino-N-[2-(cyclohexen-1-yl)ethyl]-1,3,4-thiadiazole-2-sulfonamide
PubChem CID107855936
Molecular FormulaC10H16N4O2S2
Molecular Weight288.40 g/mol
Exact Mass288.07
IUPAC Name5-amino-N-[2-(cyclohexen-1-yl)ethyl]-1,3,4-thiadiazole-2-sulfonamide
SMILESNc1nnc(S(=O)(=O)NCCC2=CCCCC2)s1
InChIInChI=1S/C10H16N4O2S2/c11-9-13-14-10(17-9)18(15,16)12-7-6-8-4-2-1-3-5-8/h4,12H,1-3,5-7H2,(H2,11,13)
InChIKeyDQDMBUMQDFQUSK-UHFFFAOYSA-N
XLogP1.29
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2,6-dibromo-N-[2-(cyclohexen-1-yl)ethyl]benzenesulfonamide
CID 61113473
5-amino-N-[2-(cyclohexen-1-yl)ethyl]-2,3-dimethylbenzenesulfonamide
CID 61111770
3-amino-N-[2-(cyclohexen-1-yl)ethyl]-5-fluorobenzenesulfonamide
CID 63321878
4-amino-3-bromo-N-[2-(cyclohexen-1-yl)ethyl]benzenesulfonamide
CID 62058693
2-amino-N-[2-(cyclohexen-1-yl)ethyl]-5-fluorobenzenesulfonamide
CID 61111220
3-amino-N-[2-(cyclohexen-1-yl)ethyl]-2,5-dimethylbenzenesulfonamide
CID 79884493
4-amino-3-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzenesulfonamide
CID 107855942
N-[2-(cyclohexen-1-yl)ethyl]-3-methylsulfonylbenzenesulfonamide
CID 110759188
5-amino-N-[2-(cyclopenten-1-yl)ethyl]-2,3-dimethylbenzenesulfonamide
CID 106164632
5-bromo-2-chloro-N-[2-(cyclohexen-1-yl)ethyl]pyridine-3-sulfonamide
CID 60779869
3-amino-N-[2-(cyclopenten-1-yl)ethyl]-2,5-dimethylbenzenesulfonamide
CID 106164705
3-amino-N-[2-(cyclopenten-1-yl)ethyl]-4-fluorobenzenesulfonamide
CID 106164553

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-(cyclohexen-1-yl)ethyl]-1,3,4-thiadiazole-2-sulfonamide?
The IUPAC name of 5-amino-N-[2-(cyclohexen-1-yl)ethyl]-1,3,4-thiadiazole-2-sulfonamide (CID 107855936) is 5-amino-N-[2-(cyclohexen-1-yl)ethyl]-1,3,4-thiadiazole-2-sulfonamide.
What is the SMILES notation for 5-amino-N-[2-(cyclohexen-1-yl)ethyl]-1,3,4-thiadiazole-2-sulfonamide?
The canonical SMILES for 5-amino-N-[2-(cyclohexen-1-yl)ethyl]-1,3,4-thiadiazole-2-sulfonamide is Nc1nnc(S(=O)(=O)NCCC2=CCCCC2)s1.
What is the InChIKey of 5-amino-N-[2-(cyclohexen-1-yl)ethyl]-1,3,4-thiadiazole-2-sulfonamide?
The InChIKey is DQDMBUMQDFQUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S2/c11-9-13-14-10(17-9)18(15,16)12-7-6-8-4-2-1-3-5-8/h4,12H,1-3,5-7H2,(H2,11,13).
What are the key properties of 5-amino-N-[2-(cyclohexen-1-yl)ethyl]-1,3,4-thiadiazole-2-sulfonamide?
5-amino-N-[2-(cyclohexen-1-yl)ethyl]-1,3,4-thiadiazole-2-sulfonamide has a molecular weight of 288.40 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-(cyclohexen-1-yl)ethyl]-1,3,4-thiadiazole-2-sulfonamide is sourced from PubChem (CID 107855936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).