[5-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylthiophen-2-yl]methanamine

C15H18N2O4S3 — CID 130344852

IUPAC[5-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylthiophen-2-yl]methanamine
SMILESNCc1ccc(S(=O)(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)s1
InChIInChI=1S/C15H18N2O4S3/c16-11-12-6-7-15(22-12)23(18,19)13-4-3-5-14(10-13)24(20,21)17-8-1-2-9-17/h3-7,10H,1-2,8-9,11,16H2
InChIKeyYSJCFXZRFFIJTM-UHFFFAOYSA-N
MW386.52 g/mol
LogP1.82
Rot. Bonds5

About [5-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylthiophen-2-yl]methanamine

[5-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylthiophen-2-yl]methanamine (PubChem CID 130344852) has the molecular formula C15H18N2O4S3 and a molecular weight of 386.52 g/mol. Its IUPAC name is [5-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylthiophen-2-yl]methanamine.

Molecular Properties

Compound Name[5-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylthiophen-2-yl]methanamine
PubChem CID130344852
Molecular FormulaC15H18N2O4S3
Molecular Weight386.52 g/mol
Exact Mass386.04
IUPAC Name[5-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylthiophen-2-yl]methanamine
SMILESNCc1ccc(S(=O)(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)s1
InChIInChI=1S/C15H18N2O4S3/c16-11-12-6-7-15(22-12)23(18,19)13-4-3-5-14(10-13)24(20,21)17-8-1-2-9-17/h3-7,10H,1-2,8-9,11,16H2
InChIKeyYSJCFXZRFFIJTM-UHFFFAOYSA-N
XLogP1.82
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylthiophen-2-yl]methanamine?
The IUPAC name of [5-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylthiophen-2-yl]methanamine (CID 130344852) is [5-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylthiophen-2-yl]methanamine.
What is the SMILES notation for [5-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylthiophen-2-yl]methanamine?
The canonical SMILES for [5-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylthiophen-2-yl]methanamine is NCc1ccc(S(=O)(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)s1.
What is the InChIKey of [5-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylthiophen-2-yl]methanamine?
The InChIKey is YSJCFXZRFFIJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4S3/c16-11-12-6-7-15(22-12)23(18,19)13-4-3-5-14(10-13)24(20,21)17-8-1-2-9-17/h3-7,10H,1-2,8-9,11,16H2.
What are the key properties of [5-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylthiophen-2-yl]methanamine?
[5-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylthiophen-2-yl]methanamine has a molecular weight of 386.52 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylthiophen-2-yl]methanamine is sourced from PubChem (CID 130344852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).