[5-(1,4-diazepan-1-ylsulfonyl)thiophen-2-yl]methanamine;dihydrochloride

C10H19Cl2N3O2S2 — CID 155515505

IUPAC[5-(1,4-diazepan-1-ylsulfonyl)thiophen-2-yl]methanamine;dihydrochloride
SMILESCl.Cl.NCc1ccc(S(=O)(=O)N2CCCNCC2)s1
InChIInChI=1S/C10H17N3O2S2.2ClH/c11-8-9-2-3-10(16-9)17(14,15)13-6-1-4-12-5-7-13;;/h2-3,12H,1,4-8,11H2;2*1H
InChIKeyFYVKVHXPDXCUDV-UHFFFAOYSA-N
MW348.32 g/mol
LogP1.03
Rot. Bonds3

About [5-(1,4-diazepan-1-ylsulfonyl)thiophen-2-yl]methanamine;dihydrochloride

[5-(1,4-diazepan-1-ylsulfonyl)thiophen-2-yl]methanamine;dihydrochloride (PubChem CID 155515505) has the molecular formula C10H19Cl2N3O2S2 and a molecular weight of 348.32 g/mol. Its IUPAC name is [5-(1,4-diazepan-1-ylsulfonyl)thiophen-2-yl]methanamine;dihydrochloride.

Molecular Properties

Compound Name[5-(1,4-diazepan-1-ylsulfonyl)thiophen-2-yl]methanamine;dihydrochloride
PubChem CID155515505
Molecular FormulaC10H19Cl2N3O2S2
Molecular Weight348.32 g/mol
Exact Mass347.03
IUPAC Name[5-(1,4-diazepan-1-ylsulfonyl)thiophen-2-yl]methanamine;dihydrochloride
SMILESCl.Cl.NCc1ccc(S(=O)(=O)N2CCCNCC2)s1
InChIInChI=1S/C10H17N3O2S2.2ClH/c11-8-9-2-3-10(16-9)17(14,15)13-6-1-4-12-5-7-13;;/h2-3,12H,1,4-8,11H2;2*1H
InChIKeyFYVKVHXPDXCUDV-UHFFFAOYSA-N
XLogP1.03
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [5-(1,4-diazepan-1-ylsulfonyl)thiophen-2-yl]methanamine;dihydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-(1,4-diazepan-1-ylsulfonyl)thiophen-2-yl]methanamine;dihydrochloride?
The IUPAC name of [5-(1,4-diazepan-1-ylsulfonyl)thiophen-2-yl]methanamine;dihydrochloride (CID 155515505) is [5-(1,4-diazepan-1-ylsulfonyl)thiophen-2-yl]methanamine;dihydrochloride.
What is the SMILES notation for [5-(1,4-diazepan-1-ylsulfonyl)thiophen-2-yl]methanamine;dihydrochloride?
The canonical SMILES for [5-(1,4-diazepan-1-ylsulfonyl)thiophen-2-yl]methanamine;dihydrochloride is Cl.Cl.NCc1ccc(S(=O)(=O)N2CCCNCC2)s1.
What is the InChIKey of [5-(1,4-diazepan-1-ylsulfonyl)thiophen-2-yl]methanamine;dihydrochloride?
The InChIKey is FYVKVHXPDXCUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S2.2ClH/c11-8-9-2-3-10(16-9)17(14,15)13-6-1-4-12-5-7-13;;/h2-3,12H,1,4-8,11H2;2*1H.
What are the key properties of [5-(1,4-diazepan-1-ylsulfonyl)thiophen-2-yl]methanamine;dihydrochloride?
[5-(1,4-diazepan-1-ylsulfonyl)thiophen-2-yl]methanamine;dihydrochloride has a molecular weight of 348.32 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1,4-diazepan-1-ylsulfonyl)thiophen-2-yl]methanamine;dihydrochloride is sourced from PubChem (CID 155515505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).