1-(5-chlorothiophen-2-yl)sulfonylazepane

C10H14ClNO2S2 — CID 775842

IUPAC1-(5-chlorothiophen-2-yl)sulfonylazepane
SMILESO=S(=O)(c1ccc(Cl)s1)N1CCCCCC1
InChIInChI=1S/C10H14ClNO2S2/c11-9-5-6-10(15-9)16(13,14)12-7-3-1-2-4-8-12/h5-6H,1-4,7-8H2
InChIKeyFCLKVNJECGLJDF-UHFFFAOYSA-N
MW279.81 g/mol
LogP2.97
Rot. Bonds2

About 1-(5-chlorothiophen-2-yl)sulfonylazepane

1-(5-chlorothiophen-2-yl)sulfonylazepane (PubChem CID 775842) has the molecular formula C10H14ClNO2S2 and a molecular weight of 279.81 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)sulfonylazepane.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)sulfonylazepane
PubChem CID775842
Molecular FormulaC10H14ClNO2S2
Molecular Weight279.81 g/mol
Exact Mass279.02
IUPAC Name1-(5-chlorothiophen-2-yl)sulfonylazepane
SMILESO=S(=O)(c1ccc(Cl)s1)N1CCCCCC1
InChIInChI=1S/C10H14ClNO2S2/c11-9-5-6-10(15-9)16(13,14)12-7-3-1-2-4-8-12/h5-6H,1-4,7-8H2
InChIKeyFCLKVNJECGLJDF-UHFFFAOYSA-N
XLogP2.97
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(5-chlorothiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]-cyclopropylmethanone
CID 110797097
1-(5-chlorothiophen-2-yl)sulfonyl-3-methylidenepiperidine
CID 59324498
1-tert-butyl-4-(5-chlorothiophen-2-yl)sulfonylpiperazine
CID 113074876
1-(5-chlorothiophen-2-yl)sulfonyl-4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine
CID 19684944
1-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide
CID 18078359
1-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]ethanone
CID 63846418
1-(5-bromothiophen-2-yl)sulfonylazepane
CID 893724
1-(5-chlorothiophen-2-yl)sulfonyl-4-(fluoromethyl)piperidine
CID 155976722
1-(5-chlorothiophen-2-yl)sulfonyl-N'-hydroxypiperidine-4-carboximidamide
CID 77039217
1-(5-chlorothiophen-2-yl)sulfonylpiperidine-3-carbaldehyde
CID 63845902
1-(5-chlorothiophen-2-yl)sulfonyl-N-propan-2-ylpiperidine-4-carboxamide
CID 113002500
(2S)-2-amino-1-[4-(5-chlorothiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]propan-1-one
CID 119313429

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonylazepane?
The IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonylazepane (CID 775842) is 1-(5-chlorothiophen-2-yl)sulfonylazepane.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)sulfonylazepane?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)sulfonylazepane is O=S(=O)(c1ccc(Cl)s1)N1CCCCCC1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)sulfonylazepane?
The InChIKey is FCLKVNJECGLJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2S2/c11-9-5-6-10(15-9)16(13,14)12-7-3-1-2-4-8-12/h5-6H,1-4,7-8H2.
What are the key properties of 1-(5-chlorothiophen-2-yl)sulfonylazepane?
1-(5-chlorothiophen-2-yl)sulfonylazepane has a molecular weight of 279.81 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)sulfonylazepane is sourced from PubChem (CID 775842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).