2-(aminomethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]piperidine-1-sulfonamide

C12H20ClN3O2S2 — CID 106095206

IUPAC2-(aminomethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]piperidine-1-sulfonamide
SMILESNCC1CCCCN1S(=O)(=O)NCCc1ccc(Cl)s1
InChIInChI=1S/C12H20ClN3O2S2/c13-12-5-4-11(19-12)6-7-15-20(17,18)16-8-2-1-3-10(16)9-14/h4-5,10,15H,1-3,6-9,14H2
InChIKeyRPPJXNRTAPUNFM-UHFFFAOYSA-N
MW337.90 g/mol
LogP1.59
Rot. Bonds6

About 2-(aminomethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]piperidine-1-sulfonamide

2-(aminomethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]piperidine-1-sulfonamide (PubChem CID 106095206) has the molecular formula C12H20ClN3O2S2 and a molecular weight of 337.90 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]piperidine-1-sulfonamide
PubChem CID106095206
Molecular FormulaC12H20ClN3O2S2
Molecular Weight337.90 g/mol
Exact Mass337.07
IUPAC Name2-(aminomethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]piperidine-1-sulfonamide
SMILESNCC1CCCCN1S(=O)(=O)NCCc1ccc(Cl)s1
InChIInChI=1S/C12H20ClN3O2S2/c13-12-5-4-11(19-12)6-7-15-20(17,18)16-8-2-1-3-10(16)9-14/h4-5,10,15H,1-3,6-9,14H2
InChIKeyRPPJXNRTAPUNFM-UHFFFAOYSA-N
XLogP1.59
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.90
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[1-(5-chlorothiophen-2-yl)ethylamino]ethyl]-N,N-dimethylpiperidin-4-amine
CID 75428499
2-(5-Chlorothiophen-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine
CID 43362657
N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 103779252
2-[(5-Chlorothiophen-2-yl)-fluoromethyl]piperidine
CID 106634866
1-[(1S)-1-(5-chlorothiophen-2-yl)-2-fluoroethyl]piperazine
CID 131442620
1-[(1R)-1-(5-chlorothiophen-2-yl)-2-fluoroethyl]piperazine
CID 131567045
2-(5-Chloro-2-thienyl)piperazine
CID 19763546
1-[3-(5-Chlorothiophen-2-yl)prop-2-enyl]-2-propan-2-ylpiperazine
CID 67014467
(2R)-2-[(5-chlorothiophen-2-yl)methyl]piperazine
CID 67333183
1-[(E)-2-(5-Chloro-thiophen-2-yl)-ethenesulfonyl]-piperazine
CID 69246222
1-[2-(5-Chlorothiophen-2-yl)ethenesulfonyl]piperazine
CID 69246226
3-(5-Chlorothiophen-2-yl)-1-methylpiperazine
CID 82113855

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]piperidine-1-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]piperidine-1-sulfonamide (CID 106095206) is 2-(aminomethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]piperidine-1-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]piperidine-1-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]piperidine-1-sulfonamide is NCC1CCCCN1S(=O)(=O)NCCc1ccc(Cl)s1.
What is the InChIKey of 2-(aminomethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]piperidine-1-sulfonamide?
The InChIKey is RPPJXNRTAPUNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3O2S2/c13-12-5-4-11(19-12)6-7-15-20(17,18)16-8-2-1-3-10(16)9-14/h4-5,10,15H,1-3,6-9,14H2.
What are the key properties of 2-(aminomethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]piperidine-1-sulfonamide?
2-(aminomethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]piperidine-1-sulfonamide has a molecular weight of 337.90 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]piperidine-1-sulfonamide is sourced from PubChem (CID 106095206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).