[5-(4-propylsulfonylphenyl)sulfonylthiophen-2-yl]methanamine

C14H17NO4S3 — CID 158924198

IUPAC[5-(4-propylsulfonylphenyl)sulfonylthiophen-2-yl]methanamine
SMILESCCCS(=O)(=O)c1ccc(S(=O)(=O)c2ccc(CN)s2)cc1
InChIInChI=1S/C14H17NO4S3/c1-2-9-21(16,17)12-4-6-13(7-5-12)22(18,19)14-8-3-11(10-15)20-14/h3-8H,2,9-10,15H2,1H3
InChIKeyFMJYKUCBEDGPMD-UHFFFAOYSA-N
MW359.49 g/mol
LogP2.22
Rot. Bonds6

About [5-(4-propylsulfonylphenyl)sulfonylthiophen-2-yl]methanamine

[5-(4-propylsulfonylphenyl)sulfonylthiophen-2-yl]methanamine (PubChem CID 158924198) has the molecular formula C14H17NO4S3 and a molecular weight of 359.49 g/mol. Its IUPAC name is [5-(4-propylsulfonylphenyl)sulfonylthiophen-2-yl]methanamine.

Molecular Properties

Compound Name[5-(4-propylsulfonylphenyl)sulfonylthiophen-2-yl]methanamine
PubChem CID158924198
Molecular FormulaC14H17NO4S3
Molecular Weight359.49 g/mol
Exact Mass359.03
IUPAC Name[5-(4-propylsulfonylphenyl)sulfonylthiophen-2-yl]methanamine
SMILESCCCS(=O)(=O)c1ccc(S(=O)(=O)c2ccc(CN)s2)cc1
InChIInChI=1S/C14H17NO4S3/c1-2-9-21(16,17)12-4-6-13(7-5-12)22(18,19)14-8-3-11(10-15)20-14/h3-8H,2,9-10,15H2,1H3
InChIKeyFMJYKUCBEDGPMD-UHFFFAOYSA-N
XLogP2.22
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.49
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonylethyl]methanesulfonamide
CID 130358396
N-[2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonylethyl]acetamide;hydrochloride
CID 138618957
[5-(benzenesulfonyl)thiophen-2-yl]methanamine
CID 130358016
4-[5-(aminomethyl)thiophen-2-yl]sulfonyl-N,N-dimethylbenzenesulfonamide
CID 130358029
4-[5-(aminomethyl)thiophen-2-yl]sulfonyl-N,N-dimethylbenzamide
CID 130358284
(4-propylsulfonylphenyl)methanamine
CID 57438061
(5-methylsulfonylthiophen-2-yl)methanamine;hydrochloride
CID 71756062
2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonylethanol;4-chlorobenzenethiol;2-chloro-5-isocyanothiophene;2-(4-chlorophenyl)sulfanyl-5-ethylthiophene;2-[4-(5-ethylthiophen-2-yl)sulfonylphenyl]sulfonylethanol;methane;hydrochloride
CID 158737558
4-propylsulfonylbenzenesulfonic acid
CID 163962227
5-(aminomethyl)-N-pentan-2-ylthiophene-2-sulfonamide
CID 43155699
N,N-diethylethanamine;1-methyl-4-propylsulfonylbenzene
CID 90732645
[5-[4-(3-pyrrolidin-1-ylpropylsulfonyl)phenyl]sulfonylthiophen-2-yl]methyl carbamate
CID 175181061

Frequently Asked Questions

What is the IUPAC name of [5-(4-propylsulfonylphenyl)sulfonylthiophen-2-yl]methanamine?
The IUPAC name of [5-(4-propylsulfonylphenyl)sulfonylthiophen-2-yl]methanamine (CID 158924198) is [5-(4-propylsulfonylphenyl)sulfonylthiophen-2-yl]methanamine.
What is the SMILES notation for [5-(4-propylsulfonylphenyl)sulfonylthiophen-2-yl]methanamine?
The canonical SMILES for [5-(4-propylsulfonylphenyl)sulfonylthiophen-2-yl]methanamine is CCCS(=O)(=O)c1ccc(S(=O)(=O)c2ccc(CN)s2)cc1.
What is the InChIKey of [5-(4-propylsulfonylphenyl)sulfonylthiophen-2-yl]methanamine?
The InChIKey is FMJYKUCBEDGPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4S3/c1-2-9-21(16,17)12-4-6-13(7-5-12)22(18,19)14-8-3-11(10-15)20-14/h3-8H,2,9-10,15H2,1H3.
What are the key properties of [5-(4-propylsulfonylphenyl)sulfonylthiophen-2-yl]methanamine?
[5-(4-propylsulfonylphenyl)sulfonylthiophen-2-yl]methanamine has a molecular weight of 359.49 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-propylsulfonylphenyl)sulfonylthiophen-2-yl]methanamine is sourced from PubChem (CID 158924198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).