5-methyl-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]thiophene-2-sulfonamide

C13H22N2O5S3 — CID 113066208

IUPAC5-methyl-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCCN(CC2CCCO2)S(C)(=O)=O)s1
InChIInChI=1S/C13H22N2O5S3/c1-11-5-6-13(21-11)23(18,19)14-7-8-15(22(2,16)17)10-12-4-3-9-20-12/h5-6,12,14H,3-4,7-10H2,1-2H3
InChIKeyQSJDQQXLLKCKMG-UHFFFAOYSA-N
MW382.53 g/mol
LogP0.78
Rot. Bonds8

About 5-methyl-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]thiophene-2-sulfonamide

5-methyl-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]thiophene-2-sulfonamide (PubChem CID 113066208) has the molecular formula C13H22N2O5S3 and a molecular weight of 382.53 g/mol. Its IUPAC name is 5-methyl-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]thiophene-2-sulfonamide
PubChem CID113066208
Molecular FormulaC13H22N2O5S3
Molecular Weight382.53 g/mol
Exact Mass382.07
IUPAC Name5-methyl-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCCN(CC2CCCO2)S(C)(=O)=O)s1
InChIInChI=1S/C13H22N2O5S3/c1-11-5-6-13(21-11)23(18,19)14-7-8-15(22(2,16)17)10-12-4-3-9-20-12/h5-6,12,14H,3-4,7-10H2,1-2H3
InChIKeyQSJDQQXLLKCKMG-UHFFFAOYSA-N
XLogP0.78
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]benzenesulfonamide
CID 113066210
N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]propane-1-sulfonamide
CID 113066193
N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]butane-1-sulfonamide
CID 113066194
N-(3,4-dimethylphenyl)-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide
CID 113138003
ethyl N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]carbamate
CID 113066185
5-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]ethyl]thiophene-2-sulfonamide
CID 113072599
2-ethyl-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]butanamide
CID 113066137
5-bromo-N-methyl-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide
CID 61060142
N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)methanesulfonamide
CID 60681211
3-methyl-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]butanamide
CID 113066133
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-N-(oxolan-2-ylmethyl)acetamide
CID 113053462
N-(3,5-dimethylphenyl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide
CID 113149682

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-methyl-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]thiophene-2-sulfonamide (CID 113066208) is 5-methyl-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-methyl-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-methyl-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]thiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)NCCN(CC2CCCO2)S(C)(=O)=O)s1.
What is the InChIKey of 5-methyl-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]thiophene-2-sulfonamide?
The InChIKey is QSJDQQXLLKCKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5S3/c1-11-5-6-13(21-11)23(18,19)14-7-8-15(22(2,16)17)10-12-4-3-9-20-12/h5-6,12,14H,3-4,7-10H2,1-2H3.
What are the key properties of 5-methyl-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]thiophene-2-sulfonamide?
5-methyl-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]thiophene-2-sulfonamide has a molecular weight of 382.53 g/mol, XLogP of 0.78, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 113066208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).