N'-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-3-yl]-N,N,N'-trimethylpropane-1,3-diamine

C15H26ClN3O2S2 — CID 45221142

IUPACN'-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-3-yl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCN(C)CCCN(C)C1CCCN(S(=O)(=O)c2ccc(Cl)s2)C1
InChIInChI=1S/C15H26ClN3O2S2/c1-17(2)9-5-10-18(3)13-6-4-11-19(12-13)23(20,21)15-8-7-14(16)22-15/h7-8,13H,4-6,9-12H2,1-3H3
InChIKeyHMLZTBHXLIWHJE-UHFFFAOYSA-N
MW379.98 g/mol
LogP2.44
Rot. Bonds7

About N'-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-3-yl]-N,N,N'-trimethylpropane-1,3-diamine

N'-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-3-yl]-N,N,N'-trimethylpropane-1,3-diamine (PubChem CID 45221142) has the molecular formula C15H26ClN3O2S2 and a molecular weight of 379.98 g/mol. Its IUPAC name is N'-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-3-yl]-N,N,N'-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-3-yl]-N,N,N'-trimethylpropane-1,3-diamine
PubChem CID45221142
Molecular FormulaC15H26ClN3O2S2
Molecular Weight379.98 g/mol
Exact Mass379.12
IUPAC NameN'-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-3-yl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCN(C)CCCN(C)C1CCCN(S(=O)(=O)c2ccc(Cl)s2)C1
InChIInChI=1S/C15H26ClN3O2S2/c1-17(2)9-5-10-18(3)13-6-4-11-19(12-13)23(20,21)15-8-7-14(16)22-15/h7-8,13H,4-6,9-12H2,1-3H3
InChIKeyHMLZTBHXLIWHJE-UHFFFAOYSA-N
XLogP2.44
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.98
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N'-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-3-yl]-N,N,N'-trimethylpropane-1,3-diamine with MolForge

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Related Compounds

N'-[(3S)-1-(benzenesulfonyl)piperidin-3-yl]-N,N,N'-trimethylpropane-1,3-diamine
CID 26326227
N'-[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-3-yl]-N,N,N'-trimethylpropane-1,3-diamine
CID 45217946
1-(5-chlorothiophen-2-yl)sulfonylpiperidine-3-carbaldehyde
CID 63845902
(2S)-2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-[3-[cyclohexyl(methyl)amino]propyl]propanamide
CID 95088926
(3S)-1-(5-chlorothiophen-2-yl)sulfonyl-3-(1,3-dioxolan-2-yl)piperidine
CID 95267954
1-(5-chlorothiophen-2-yl)sulfonylazepane
CID 775842
1-(5-chlorothiophen-2-yl)sulfonyl-3-methylsulfonylpyrrolidine
CID 90584698
3-azido-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine
CID 172905067
1-(5-chlorothiophen-2-yl)sulfonyl-4-(fluoromethyl)piperidine
CID 155976722
1-(5-chlorothiophen-2-yl)sulfonyl-2-methylpyrrolidine
CID 110728237
1-(5-chlorothiophen-2-yl)sulfonyl-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120779861
1-(1-chloroisoquinolin-5-yl)sulfonyl-N-hexyl-N-methylpiperidin-3-amine
CID 21278335

Frequently Asked Questions

What is the IUPAC name of N'-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-3-yl]-N,N,N'-trimethylpropane-1,3-diamine?
The IUPAC name of N'-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-3-yl]-N,N,N'-trimethylpropane-1,3-diamine (CID 45221142) is N'-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-3-yl]-N,N,N'-trimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-3-yl]-N,N,N'-trimethylpropane-1,3-diamine?
The canonical SMILES for N'-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-3-yl]-N,N,N'-trimethylpropane-1,3-diamine is CN(C)CCCN(C)C1CCCN(S(=O)(=O)c2ccc(Cl)s2)C1.
What is the InChIKey of N'-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-3-yl]-N,N,N'-trimethylpropane-1,3-diamine?
The InChIKey is HMLZTBHXLIWHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClN3O2S2/c1-17(2)9-5-10-18(3)13-6-4-11-19(12-13)23(20,21)15-8-7-14(16)22-15/h7-8,13H,4-6,9-12H2,1-3H3.
What are the key properties of N'-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-3-yl]-N,N,N'-trimethylpropane-1,3-diamine?
N'-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-3-yl]-N,N,N'-trimethylpropane-1,3-diamine has a molecular weight of 379.98 g/mol, XLogP of 2.44, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-3-yl]-N,N,N'-trimethylpropane-1,3-diamine is sourced from PubChem (CID 45221142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).