(5-methyl-2-naphthalen-1-ylsulfonylthiophen-3-yl)methanamine

C16H15NO2S2 — CID 139905627

IUPAC(5-methyl-2-naphthalen-1-ylsulfonylthiophen-3-yl)methanamine
SMILESCc1cc(CN)c(S(=O)(=O)c2cccc3ccccc23)s1
InChIInChI=1S/C16H15NO2S2/c1-11-9-13(10-17)16(20-11)21(18,19)15-8-4-6-12-5-2-3-7-14(12)15/h2-9H,10,17H2,1H3
InChIKeyYOOOTMINHMDRPF-UHFFFAOYSA-N
MW317.44 g/mol
LogP3.50
Rot. Bonds3

About (5-methyl-2-naphthalen-1-ylsulfonylthiophen-3-yl)methanamine

(5-methyl-2-naphthalen-1-ylsulfonylthiophen-3-yl)methanamine (PubChem CID 139905627) has the molecular formula C16H15NO2S2 and a molecular weight of 317.44 g/mol. Its IUPAC name is (5-methyl-2-naphthalen-1-ylsulfonylthiophen-3-yl)methanamine.

Molecular Properties

Compound Name(5-methyl-2-naphthalen-1-ylsulfonylthiophen-3-yl)methanamine
PubChem CID139905627
Molecular FormulaC16H15NO2S2
Molecular Weight317.44 g/mol
Exact Mass317.05
IUPAC Name(5-methyl-2-naphthalen-1-ylsulfonylthiophen-3-yl)methanamine
SMILESCc1cc(CN)c(S(=O)(=O)c2cccc3ccccc23)s1
InChIInChI=1S/C16H15NO2S2/c1-11-9-13(10-17)16(20-11)21(18,19)15-8-4-6-12-5-2-3-7-14(12)15/h2-9H,10,17H2,1H3
InChIKeyYOOOTMINHMDRPF-UHFFFAOYSA-N
XLogP3.50
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5-methyl-2-naphthalen-1-ylsulfonylthiophen-3-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

2-naphthalen-1-ylsulfonylethanamine
CID 116853448
2-methylpropan-2-amine;naphthalen-1-ylmethanamine
CID 142317452
1-methylsulfonylnaphthalene
CID 11206535
methanamine;naphthalene-1-sulfonic acid
CID 174421353
1-(2-fluorophenyl)sulfonylnaphthalene
CID 141142216
azane;naphthalene-1-sulfonamide
CID 174765300
naphthalen-1-ylsulfonyloxysulfinyl naphthalene-1-sulfonate
CID 174434530
(4-ethylsulfonylnaphthalen-1-yl)methanamine
CID 97034076
tert-butyl naphthalene-1-sulfonate
CID 22062611
formaldehyde;methyl naphthalene-1-sulfonate
CID 87369958
N-(2-amino-2-methylpropyl)naphthalene-1-sulfonamide
CID 84591300
naphthalene-1-sulfonic acid
CID 158712346

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-naphthalen-1-ylsulfonylthiophen-3-yl)methanamine?
The IUPAC name of (5-methyl-2-naphthalen-1-ylsulfonylthiophen-3-yl)methanamine (CID 139905627) is (5-methyl-2-naphthalen-1-ylsulfonylthiophen-3-yl)methanamine.
What is the SMILES notation for (5-methyl-2-naphthalen-1-ylsulfonylthiophen-3-yl)methanamine?
The canonical SMILES for (5-methyl-2-naphthalen-1-ylsulfonylthiophen-3-yl)methanamine is Cc1cc(CN)c(S(=O)(=O)c2cccc3ccccc23)s1.
What is the InChIKey of (5-methyl-2-naphthalen-1-ylsulfonylthiophen-3-yl)methanamine?
The InChIKey is YOOOTMINHMDRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2S2/c1-11-9-13(10-17)16(20-11)21(18,19)15-8-4-6-12-5-2-3-7-14(12)15/h2-9H,10,17H2,1H3.
What are the key properties of (5-methyl-2-naphthalen-1-ylsulfonylthiophen-3-yl)methanamine?
(5-methyl-2-naphthalen-1-ylsulfonylthiophen-3-yl)methanamine has a molecular weight of 317.44 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-naphthalen-1-ylsulfonylthiophen-3-yl)methanamine is sourced from PubChem (CID 139905627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).