5-[(cyclopropylamino)methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide

C11H14N4O2S3 — CID 106082883

IUPAC5-[(cyclopropylamino)methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide
SMILESCc1nnc(NS(=O)(=O)c2ccc(CNC3CC3)s2)s1
InChIInChI=1S/C11H14N4O2S3/c1-7-13-14-11(18-7)15-20(16,17)10-5-4-9(19-10)6-12-8-2-3-8/h4-5,8,12H,2-3,6H2,1H3,(H,14,15)
InChIKeyJBYXJCNJDZXBBC-UHFFFAOYSA-N
MW330.46 g/mol
LogP1.96
Rot. Bonds6

About 5-[(cyclopropylamino)methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide

5-[(cyclopropylamino)methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide (PubChem CID 106082883) has the molecular formula C11H14N4O2S3 and a molecular weight of 330.46 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide
PubChem CID106082883
Molecular FormulaC11H14N4O2S3
Molecular Weight330.46 g/mol
Exact Mass330.03
IUPAC Name5-[(cyclopropylamino)methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide
SMILESCc1nnc(NS(=O)(=O)c2ccc(CNC3CC3)s2)s1
InChIInChI=1S/C11H14N4O2S3/c1-7-13-14-11(18-7)15-20(16,17)10-5-4-9(19-10)6-12-8-2-3-8/h4-5,8,12H,2-3,6H2,1H3,(H,14,15)
InChIKeyJBYXJCNJDZXBBC-UHFFFAOYSA-N
XLogP1.96
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-ethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide
CID 71974673
N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106082756
2-[(cyclopropylamino)methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 106082837
5-[(cyclopropylamino)methyl]-N-(2-methyl-4-pyridinyl)thiophene-2-sulfonamide
CID 106071328
5-[(cyclopropylamino)methyl]-N-(2-cyclopropylpropan-2-yl)thiophene-2-sulfonamide
CID 106091245
5-[2-(cyclopropylamino)ethyl]-N-(1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide
CID 106081177
5-[(cyclopropylamino)methyl]-N-(2-methylpentan-2-yl)thiophene-2-sulfonamide
CID 106079469
5-[(cyclopropylamino)methyl]-N-[2-(diethylamino)ethyl]thiophene-2-sulfonamide
CID 106035127
5-[(cyclopropylamino)methyl]-N-(thian-3-yl)thiophene-2-sulfonamide
CID 106081562
N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine;hydrochloride
CID 17294982
5-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-3-yl)thiophene-2-sulfonamide
CID 82745858
N-[[5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)thiophen-2-yl]methyl]cyclopropanamine
CID 66371890

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-[(cyclopropylamino)methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide (CID 106082883) is 5-[(cyclopropylamino)methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide is Cc1nnc(NS(=O)(=O)c2ccc(CNC3CC3)s2)s1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide?
The InChIKey is JBYXJCNJDZXBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S3/c1-7-13-14-11(18-7)15-20(16,17)10-5-4-9(19-10)6-12-8-2-3-8/h4-5,8,12H,2-3,6H2,1H3,(H,14,15).
What are the key properties of 5-[(cyclopropylamino)methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide?
5-[(cyclopropylamino)methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide has a molecular weight of 330.46 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 106082883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).