[1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-4-yl]methanamine

C10H14Cl2N2O2S2 — CID 43605263

IUPAC[1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-4-yl]methanamine
SMILESNCC1CCN(S(=O)(=O)c2cc(Cl)sc2Cl)CC1
InChIInChI=1S/C10H14Cl2N2O2S2/c11-9-5-8(10(12)17-9)18(15,16)14-3-1-7(6-13)2-4-14/h5,7H,1-4,6,13H2
InChIKeyDWJFAVLZUYIAGE-UHFFFAOYSA-N
MW329.27 g/mol
LogP2.41
Rot. Bonds3

About [1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-4-yl]methanamine

[1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-4-yl]methanamine (PubChem CID 43605263) has the molecular formula C10H14Cl2N2O2S2 and a molecular weight of 329.27 g/mol. Its IUPAC name is [1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-4-yl]methanamine
PubChem CID43605263
Molecular FormulaC10H14Cl2N2O2S2
Molecular Weight329.27 g/mol
Exact Mass327.99
IUPAC Name[1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-4-yl]methanamine
SMILESNCC1CCN(S(=O)(=O)c2cc(Cl)sc2Cl)CC1
InChIInChI=1S/C10H14Cl2N2O2S2/c11-9-5-8(10(12)17-9)18(15,16)14-3-1-7(6-13)2-4-14/h5,7H,1-4,6,13H2
InChIKeyDWJFAVLZUYIAGE-UHFFFAOYSA-N
XLogP2.41
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.27
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(bromomethyl)-1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidine
CID 80670130
1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-4-ol
CID 43502793
(3R)-1-(2,5-dichlorothiophen-3-yl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962586
N-[[1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-4-yl]methyl]cyclopropanamine
CID 63853195
1-(2,5-dichlorothiophen-3-yl)sulfonylpyrrolidine
CID 2805365
2-[1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-4-yl]-N-methylethanamine;hydrochloride
CID 120718381
[1-(5-chloro-4-methylthiophen-2-yl)sulfonylpiperidin-4-yl]methanamine;hydrochloride
CID 120707091
N-[[4-(aminomethyl)cyclohexyl]methyl]-2,5-dichlorothiophene-3-sulfonamide
CID 71213402
1-(2,5-dichlorothiophen-3-yl)sulfonylpiperazine
CID 43344137
1-(2,5-dichlorothiophen-3-yl)sulfonylpiperazine;hydrochloride
CID 46743477
[1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride
CID 119963911
[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride
CID 119964008

Frequently Asked Questions

What is the IUPAC name of [1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-4-yl]methanamine?
The IUPAC name of [1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-4-yl]methanamine (CID 43605263) is [1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-4-yl]methanamine.
What is the SMILES notation for [1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-4-yl]methanamine?
The canonical SMILES for [1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-4-yl]methanamine is NCC1CCN(S(=O)(=O)c2cc(Cl)sc2Cl)CC1.
What is the InChIKey of [1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-4-yl]methanamine?
The InChIKey is DWJFAVLZUYIAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N2O2S2/c11-9-5-8(10(12)17-9)18(15,16)14-3-1-7(6-13)2-4-14/h5,7H,1-4,6,13H2.
What are the key properties of [1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-4-yl]methanamine?
[1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-4-yl]methanamine has a molecular weight of 329.27 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-4-yl]methanamine is sourced from PubChem (CID 43605263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).