1,2,2,3-tetramethyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide

C10H16N4O3S2 — CID 21113546

IUPAC1,2,2,3-tetramethyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide
SMILESCC1C(C)(C)C1(C)C(=O)Nc1nnc(S(N)(=O)=O)s1
InChIInChI=1S/C10H16N4O3S2/c1-5-9(2,3)10(5,4)6(15)12-7-13-14-8(18-7)19(11,16)17/h5H,1-4H3,(H2,11,16,17)(H,12,13,15)
InChIKeyDBVMJVQRCBGCDB-UHFFFAOYSA-N
MW304.40 g/mol
LogP0.81
Rot. Bonds3

About 1,2,2,3-tetramethyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide

1,2,2,3-tetramethyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide (PubChem CID 21113546) has the molecular formula C10H16N4O3S2 and a molecular weight of 304.40 g/mol. Its IUPAC name is 1,2,2,3-tetramethyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1,2,2,3-tetramethyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide
PubChem CID21113546
Molecular FormulaC10H16N4O3S2
Molecular Weight304.40 g/mol
Exact Mass304.07
IUPAC Name1,2,2,3-tetramethyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide
SMILESCC1C(C)(C)C1(C)C(=O)Nc1nnc(S(N)(=O)=O)s1
InChIInChI=1S/C10H16N4O3S2/c1-5-9(2,3)10(5,4)6(15)12-7-13-14-8(18-7)19(11,16)17/h5H,1-4H3,(H2,11,16,17)(H,12,13,15)
InChIKeyDBVMJVQRCBGCDB-UHFFFAOYSA-N
XLogP0.81
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Related Compounds

(5-sulfamoyl-1,3,4-thiadiazol-2-yl)carbamothioic S-acid
CID 123430728
2,2-diamino-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide
CID 130452184
(2S)-2-amino-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide;hydrobromide
CID 18642236
[2-oxo-2-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]ethyl]azanium bromide
CID 15041395
3-chloro-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide
CID 54476371
4-amino-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)butanamide
CID 10015713
2,3-dihydroxybenzoic acid;tris(N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide)
CID 139145084
2-amino-N-[2-oxo-2-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]ethyl]acetamide
CID 10827620
1-(2-chloroethyl)-3-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)urea
CID 3734828
6-methyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 146247386
3-(dimethylsulfamoylamino)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide
CID 101078048
4-nitro-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)benzamide
CID 127048994

Frequently Asked Questions

What is the IUPAC name of 1,2,2,3-tetramethyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1,2,2,3-tetramethyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide (CID 21113546) is 1,2,2,3-tetramethyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1,2,2,3-tetramethyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1,2,2,3-tetramethyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide is CC1C(C)(C)C1(C)C(=O)Nc1nnc(S(N)(=O)=O)s1.
What is the InChIKey of 1,2,2,3-tetramethyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide?
The InChIKey is DBVMJVQRCBGCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3S2/c1-5-9(2,3)10(5,4)6(15)12-7-13-14-8(18-7)19(11,16)17/h5H,1-4H3,(H2,11,16,17)(H,12,13,15).
What are the key properties of 1,2,2,3-tetramethyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide?
1,2,2,3-tetramethyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide has a molecular weight of 304.40 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3-tetramethyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 21113546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).