N-[[1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-4-yl]methyl]cyclopropanamine

C13H18Cl2N2O2S2 — CID 63853195

IUPACN-[[1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-4-yl]methyl]cyclopropanamine
SMILESO=S(=O)(c1cc(Cl)sc1Cl)N1CCC(CNC2CC2)CC1
InChIInChI=1S/C13H18Cl2N2O2S2/c14-12-7-11(13(15)20-12)21(18,19)17-5-3-9(4-6-17)8-16-10-1-2-10/h7,9-10,16H,1-6,8H2
InChIKeyQEPWHTWYNZPRPI-UHFFFAOYSA-N
MW369.34 g/mol
LogP3.21
Rot. Bonds5

About N-[[1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-4-yl]methyl]cyclopropanamine

N-[[1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-4-yl]methyl]cyclopropanamine (PubChem CID 63853195) has the molecular formula C13H18Cl2N2O2S2 and a molecular weight of 369.34 g/mol. Its IUPAC name is N-[[1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-4-yl]methyl]cyclopropanamine
PubChem CID63853195
Molecular FormulaC13H18Cl2N2O2S2
Molecular Weight369.34 g/mol
Exact Mass368.02
IUPAC NameN-[[1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-4-yl]methyl]cyclopropanamine
SMILESO=S(=O)(c1cc(Cl)sc1Cl)N1CCC(CNC2CC2)CC1
InChIInChI=1S/C13H18Cl2N2O2S2/c14-12-7-11(13(15)20-12)21(18,19)17-5-3-9(4-6-17)8-16-10-1-2-10/h7,9-10,16H,1-6,8H2
InChIKeyQEPWHTWYNZPRPI-UHFFFAOYSA-N
XLogP3.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.34
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-4-yl]methyl]cyclopropanamine with MolForge

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

Launch Full Analysis

Related Compounds

[1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-4-yl]methanamine
CID 43605263
4-(bromomethyl)-1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidine
CID 80670130
1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-4-ol
CID 43502793
2-[1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-4-yl]-N-methylethanamine;hydrochloride
CID 120718381
1-(2,5-dichlorothiophen-3-yl)sulfonylpyrrolidine
CID 2805365
(3R)-1-(2,5-dichlorothiophen-3-yl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962586
N-(cyclopropylmethyl)-1-(2,5-dichlorophenyl)sulfonylpiperidin-4-amine
CID 119987518
1-(5-chloro-2-fluorophenyl)sulfonyl-N-(cyclopropylmethyl)piperidin-4-amine
CID 120894115
N-(cyclopropylmethyl)-1-(2,3-dichlorophenyl)sulfonylpiperidin-4-amine
CID 119987433
1-(2,5-dichlorothiophen-3-yl)sulfonylpiperazine
CID 43344137
N-(cyclopropylmethyl)-1-(2,4-dichloro-3-fluorophenyl)sulfonylpiperidin-4-amine
CID 120711470
1-(5-bromo-2-methylthiophen-3-yl)sulfonyl-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride
CID 119987415

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-4-yl]methyl]cyclopropanamine (CID 63853195) is N-[[1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-4-yl]methyl]cyclopropanamine is O=S(=O)(c1cc(Cl)sc1Cl)N1CCC(CNC2CC2)CC1.
What is the InChIKey of N-[[1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-4-yl]methyl]cyclopropanamine?
The InChIKey is QEPWHTWYNZPRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O2S2/c14-12-7-11(13(15)20-12)21(18,19)17-5-3-9(4-6-17)8-16-10-1-2-10/h7,9-10,16H,1-6,8H2.
What are the key properties of N-[[1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-4-yl]methyl]cyclopropanamine?
N-[[1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-4-yl]methyl]cyclopropanamine has a molecular weight of 369.34 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 63853195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).