[5-(3-tert-butyl-5-methylsulfonylphenyl)sulfonylthiophen-2-yl]methanamine

C16H21NO4S3 — CID 130345284

IUPAC[5-(3-tert-butyl-5-methylsulfonylphenyl)sulfonylthiophen-2-yl]methanamine
SMILESCC(C)(C)c1cc(S(C)(=O)=O)cc(S(=O)(=O)c2ccc(CN)s2)c1
InChIInChI=1S/C16H21NO4S3/c1-16(2,3)11-7-13(23(4,18)19)9-14(8-11)24(20,21)15-6-5-12(10-17)22-15/h5-9H,10,17H2,1-4H3
InChIKeyTYAXMRQHRRSKHY-UHFFFAOYSA-N
MW387.55 g/mol
LogP2.74
Rot. Bonds4

About [5-(3-tert-butyl-5-methylsulfonylphenyl)sulfonylthiophen-2-yl]methanamine

[5-(3-tert-butyl-5-methylsulfonylphenyl)sulfonylthiophen-2-yl]methanamine (PubChem CID 130345284) has the molecular formula C16H21NO4S3 and a molecular weight of 387.55 g/mol. Its IUPAC name is [5-(3-tert-butyl-5-methylsulfonylphenyl)sulfonylthiophen-2-yl]methanamine.

Molecular Properties

Compound Name[5-(3-tert-butyl-5-methylsulfonylphenyl)sulfonylthiophen-2-yl]methanamine
PubChem CID130345284
Molecular FormulaC16H21NO4S3
Molecular Weight387.55 g/mol
Exact Mass387.06
IUPAC Name[5-(3-tert-butyl-5-methylsulfonylphenyl)sulfonylthiophen-2-yl]methanamine
SMILESCC(C)(C)c1cc(S(C)(=O)=O)cc(S(=O)(=O)c2ccc(CN)s2)c1
InChIInChI=1S/C16H21NO4S3/c1-16(2,3)11-7-13(23(4,18)19)9-14(8-11)24(20,21)15-6-5-12(10-17)22-15/h5-9H,10,17H2,1-4H3
InChIKeyTYAXMRQHRRSKHY-UHFFFAOYSA-N
XLogP2.74
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.55
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [5-(3-tert-butyl-5-methylsulfonylphenyl)sulfonylthiophen-2-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzylthiophene-2-sulfonamide
CID 765826
Cct365623
CID 130345035
N-[1-(4-methylphenyl)propyl]thiophene-2-sulfonamide
CID 4768760
N-[2-(4-thiophen-3-ylphenyl)propyl]propane-2-sulfonamide
CID 9873570
US10807974, Example 9
CID 130344870
[3-Fluoro-5-(3-methylsulfonyl-5-phenylphenyl)sulfonylthiophen-2-yl]methanamine
CID 130344958
[5-[3-(4-Methylphenyl)-4-methylsulfonylphenyl]sulfonylthiophen-2-yl]methanamine;hydrochloride
CID 130345158
[5-[3-(4-Methylphenyl)-4-methylsulfonylphenyl]sulfonylthiophen-2-yl]methanamine
CID 130345159
[5-[3-(4-Methylphenyl)-5-methylsulfonylphenyl]sulfonylthiophen-2-yl]methanamine
CID 130345200
US10807974, Example 80
CID 130358062
1-[5-(benzenesulfonyl)-4-phenylthiophen-2-yl]-N-methylmethanamine
CID 118728086
N-benzyl-5-methyl-2-thiophenesulfonamide
CID 2241007

Frequently Asked Questions

What is the IUPAC name of [5-(3-tert-butyl-5-methylsulfonylphenyl)sulfonylthiophen-2-yl]methanamine?
The IUPAC name of [5-(3-tert-butyl-5-methylsulfonylphenyl)sulfonylthiophen-2-yl]methanamine (CID 130345284) is [5-(3-tert-butyl-5-methylsulfonylphenyl)sulfonylthiophen-2-yl]methanamine.
What is the SMILES notation for [5-(3-tert-butyl-5-methylsulfonylphenyl)sulfonylthiophen-2-yl]methanamine?
The canonical SMILES for [5-(3-tert-butyl-5-methylsulfonylphenyl)sulfonylthiophen-2-yl]methanamine is CC(C)(C)c1cc(S(C)(=O)=O)cc(S(=O)(=O)c2ccc(CN)s2)c1.
What is the InChIKey of [5-(3-tert-butyl-5-methylsulfonylphenyl)sulfonylthiophen-2-yl]methanamine?
The InChIKey is TYAXMRQHRRSKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4S3/c1-16(2,3)11-7-13(23(4,18)19)9-14(8-11)24(20,21)15-6-5-12(10-17)22-15/h5-9H,10,17H2,1-4H3.
What are the key properties of [5-(3-tert-butyl-5-methylsulfonylphenyl)sulfonylthiophen-2-yl]methanamine?
[5-(3-tert-butyl-5-methylsulfonylphenyl)sulfonylthiophen-2-yl]methanamine has a molecular weight of 387.55 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-tert-butyl-5-methylsulfonylphenyl)sulfonylthiophen-2-yl]methanamine is sourced from PubChem (CID 130345284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).