5-(2-aminoethyl)-N-[(2-methylthiolan-2-yl)methyl]thiophene-2-sulfonamide

C12H20N2O2S3 — CID 80743832

IUPAC5-(2-aminoethyl)-N-[(2-methylthiolan-2-yl)methyl]thiophene-2-sulfonamide
SMILESCC1(CNS(=O)(=O)c2ccc(CCN)s2)CCCS1
InChIInChI=1S/C12H20N2O2S3/c1-12(6-2-8-17-12)9-14-19(15,16)11-4-3-10(18-11)5-7-13/h3-4,14H,2,5-9,13H2,1H3
InChIKeyGDNRQDXMZGVJGO-UHFFFAOYSA-N
MW320.51 g/mol
LogP1.81
Rot. Bonds6

About 5-(2-aminoethyl)-N-[(2-methylthiolan-2-yl)methyl]thiophene-2-sulfonamide

5-(2-aminoethyl)-N-[(2-methylthiolan-2-yl)methyl]thiophene-2-sulfonamide (PubChem CID 80743832) has the molecular formula C12H20N2O2S3 and a molecular weight of 320.51 g/mol. Its IUPAC name is 5-(2-aminoethyl)-N-[(2-methylthiolan-2-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(2-aminoethyl)-N-[(2-methylthiolan-2-yl)methyl]thiophene-2-sulfonamide
PubChem CID80743832
Molecular FormulaC12H20N2O2S3
Molecular Weight320.51 g/mol
Exact Mass320.07
IUPAC Name5-(2-aminoethyl)-N-[(2-methylthiolan-2-yl)methyl]thiophene-2-sulfonamide
SMILESCC1(CNS(=O)(=O)c2ccc(CCN)s2)CCCS1
InChIInChI=1S/C12H20N2O2S3/c1-12(6-2-8-17-12)9-14-19(15,16)11-4-3-10(18-11)5-7-13/h3-4,14H,2,5-9,13H2,1H3
InChIKeyGDNRQDXMZGVJGO-UHFFFAOYSA-N
XLogP1.81
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.51
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-N-[(2-methylthiolan-2-yl)methyl]thiophene-3-sulfonamide
CID 106073737
5-amino-N-[(2-methylthiolan-2-yl)methyl]-4-nitrothiophene-2-sulfonamide
CID 80746377
4-hydroxy-N-[(2-methylthiolan-2-yl)methyl]benzenesulfonamide
CID 80742757
2-amino-6-fluoro-N-[(2-methylthiolan-2-yl)methyl]benzenesulfonamide
CID 80726242
1-[4-(aminomethyl)phenyl]-N-[(2-methylthiolan-2-yl)methyl]methanesulfonamide
CID 106073760
5-(2-aminoethyl)-N-phenylthiophene-2-sulfonamide
CID 43520785
4-[(2-methylthiolan-2-yl)methylsulfamoyl]benzenecarbothioamide
CID 80736830
4-amino-2,6-dibromo-N-[(2-methylthiolan-2-yl)methyl]benzenesulfonamide
CID 80725860
5-(2-aminoethyl)-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide
CID 43520923
5-(2-aminoethyl)-N-(2,6-dibromophenyl)thiophene-2-sulfonamide
CID 107601110
6-amino-N-[(2-methylthiolan-2-yl)methyl]-1H-indole-3-sulfonamide
CID 80727103
2-amino-5-bromo-4-fluoro-N-[(2-methylthiolan-2-yl)methyl]benzenesulfonamide
CID 106491943

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-N-[(2-methylthiolan-2-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-(2-aminoethyl)-N-[(2-methylthiolan-2-yl)methyl]thiophene-2-sulfonamide (CID 80743832) is 5-(2-aminoethyl)-N-[(2-methylthiolan-2-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-(2-aminoethyl)-N-[(2-methylthiolan-2-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-(2-aminoethyl)-N-[(2-methylthiolan-2-yl)methyl]thiophene-2-sulfonamide is CC1(CNS(=O)(=O)c2ccc(CCN)s2)CCCS1.
What is the InChIKey of 5-(2-aminoethyl)-N-[(2-methylthiolan-2-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is GDNRQDXMZGVJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S3/c1-12(6-2-8-17-12)9-14-19(15,16)11-4-3-10(18-11)5-7-13/h3-4,14H,2,5-9,13H2,1H3.
What are the key properties of 5-(2-aminoethyl)-N-[(2-methylthiolan-2-yl)methyl]thiophene-2-sulfonamide?
5-(2-aminoethyl)-N-[(2-methylthiolan-2-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 320.51 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-N-[(2-methylthiolan-2-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 80743832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).