5-[2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]thiophene-2-sulfonamide

C10H19N3O4S3 — CID 61454031

IUPAC5-[2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]thiophene-2-sulfonamide
SMILESCC(C)N(C)S(=O)(=O)NCCc1ccc(S(N)(=O)=O)s1
InChIInChI=1S/C10H19N3O4S3/c1-8(2)13(3)20(16,17)12-7-6-9-4-5-10(18-9)19(11,14)15/h4-5,8,12H,6-7H2,1-3H3,(H2,11,14,15)
InChIKeyYQBJMRFEWZKSAQ-UHFFFAOYSA-N
MW341.48 g/mol
LogP0.11
Rot. Bonds7

About 5-[2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]thiophene-2-sulfonamide

5-[2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]thiophene-2-sulfonamide (PubChem CID 61454031) has the molecular formula C10H19N3O4S3 and a molecular weight of 341.48 g/mol. Its IUPAC name is 5-[2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]thiophene-2-sulfonamide
PubChem CID61454031
Molecular FormulaC10H19N3O4S3
Molecular Weight341.48 g/mol
Exact Mass341.05
IUPAC Name5-[2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]thiophene-2-sulfonamide
SMILESCC(C)N(C)S(=O)(=O)NCCc1ccc(S(N)(=O)=O)s1
InChIInChI=1S/C10H19N3O4S3/c1-8(2)13(3)20(16,17)12-7-6-9-4-5-10(18-9)19(11,14)15/h4-5,8,12H,6-7H2,1-3H3,(H2,11,14,15)
InChIKeyYQBJMRFEWZKSAQ-UHFFFAOYSA-N
XLogP0.11
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(cyclopropylsulfonylamino)ethyl]thiophene-2-sulfonamide
CID 64554947
5-[2-(2-methoxyethylsulfonylamino)ethyl]thiophene-2-sulfonamide
CID 55014443
N-[2-(5-sulfamoylthiophen-2-yl)ethyl]butanamide
CID 43133898
1-hydroxy-4-[2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]benzene
CID 54947518
2-acetamido-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]acetamide
CID 61128464
3-methyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]but-2-enamide
CID 61128280
5-(3-oxobutyl)thiophene-2-sulfonamide
CID 22147785
N-[2-(5-sulfamoylthiophen-2-yl)ethyl]benzamide
CID 43246441
(2S)-2-amino-3-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]butanamide;hydrochloride
CID 119270466
3-bromo-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]thiophene-2-carboxamide
CID 47286704
4-hydroxy-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]benzamide
CID 61128277
5-methyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]furan-3-carboxamide
CID 114822706

Frequently Asked Questions

What is the IUPAC name of 5-[2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-[2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]thiophene-2-sulfonamide (CID 61454031) is 5-[2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-[2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-[2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]thiophene-2-sulfonamide is CC(C)N(C)S(=O)(=O)NCCc1ccc(S(N)(=O)=O)s1.
What is the InChIKey of 5-[2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]thiophene-2-sulfonamide?
The InChIKey is YQBJMRFEWZKSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4S3/c1-8(2)13(3)20(16,17)12-7-6-9-4-5-10(18-9)19(11,14)15/h4-5,8,12H,6-7H2,1-3H3,(H2,11,14,15).
What are the key properties of 5-[2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]thiophene-2-sulfonamide?
5-[2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]thiophene-2-sulfonamide has a molecular weight of 341.48 g/mol, XLogP of 0.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 61454031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).