2-[5-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonylthiophen-2-yl]ethanamine

C14H23N3O2S2 — CID 61443457

IUPAC2-[5-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonylthiophen-2-yl]ethanamine
SMILESNCCc1ccc(S(=O)(=O)N2CCN(CC3CC3)CC2)s1
InChIInChI=1S/C14H23N3O2S2/c15-6-5-13-3-4-14(20-13)21(18,19)17-9-7-16(8-10-17)11-12-1-2-12/h3-4,12H,1-2,5-11,15H2
InChIKeyTYWOPBWSOQECCX-UHFFFAOYSA-N
MW329.49 g/mol
LogP0.97
Rot. Bonds6

About 2-[5-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonylthiophen-2-yl]ethanamine

2-[5-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonylthiophen-2-yl]ethanamine (PubChem CID 61443457) has the molecular formula C14H23N3O2S2 and a molecular weight of 329.49 g/mol. Its IUPAC name is 2-[5-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonylthiophen-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonylthiophen-2-yl]ethanamine
PubChem CID61443457
Molecular FormulaC14H23N3O2S2
Molecular Weight329.49 g/mol
Exact Mass329.12
IUPAC Name2-[5-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonylthiophen-2-yl]ethanamine
SMILESNCCc1ccc(S(=O)(=O)N2CCN(CC3CC3)CC2)s1
InChIInChI=1S/C14H23N3O2S2/c15-6-5-13-3-4-14(20-13)21(18,19)17-9-7-16(8-10-17)11-12-1-2-12/h3-4,12H,1-2,5-11,15H2
InChIKeyTYWOPBWSOQECCX-UHFFFAOYSA-N
XLogP0.97
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[5-(2-aminoethyl)thiophen-2-yl]sulfonylpiperidin-4-yl]methanol
CID 43520966
1-[5-(2-aminoethyl)thiophen-2-yl]sulfonylpiperidin-4-ol
CID 43520883
2-[5-(4-methylsulfonylpiperazin-1-yl)sulfonylthiophen-2-yl]ethanamine
CID 62992395
1-[5-(2-aminoethyl)thiophen-2-yl]sulfonyl-N,N-dimethylpiperidin-4-amine
CID 43586343
2-[5-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]thiophen-2-yl]ethanamine
CID 54975361
2-[5-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]thiophen-2-yl]ethanamine
CID 43520773
2-[5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)sulfonylthiophen-2-yl]ethanamine
CID 63540471
1-[5-(2-aminoethyl)thiophen-2-yl]sulfonyl-4-methylpiperidin-3-ol
CID 102959677
2-[5-(3-methoxypiperidin-1-yl)sulfonylthiophen-2-yl]ethanamine
CID 102959737
2-[5-(2-methylpyrrolidin-1-yl)sulfonylthiophen-2-yl]ethanamine
CID 54882469
4-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonyl-3-methylaniline
CID 61116607
N-[1-[5-(aminomethyl)thiophen-2-yl]sulfonylpiperidin-4-yl]acetamide
CID 106266502

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonylthiophen-2-yl]ethanamine?
The IUPAC name of 2-[5-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonylthiophen-2-yl]ethanamine (CID 61443457) is 2-[5-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonylthiophen-2-yl]ethanamine.
What is the SMILES notation for 2-[5-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonylthiophen-2-yl]ethanamine?
The canonical SMILES for 2-[5-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonylthiophen-2-yl]ethanamine is NCCc1ccc(S(=O)(=O)N2CCN(CC3CC3)CC2)s1.
What is the InChIKey of 2-[5-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonylthiophen-2-yl]ethanamine?
The InChIKey is TYWOPBWSOQECCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S2/c15-6-5-13-3-4-14(20-13)21(18,19)17-9-7-16(8-10-17)11-12-1-2-12/h3-4,12H,1-2,5-11,15H2.
What are the key properties of 2-[5-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonylthiophen-2-yl]ethanamine?
2-[5-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonylthiophen-2-yl]ethanamine has a molecular weight of 329.49 g/mol, XLogP of 0.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonylthiophen-2-yl]ethanamine is sourced from PubChem (CID 61443457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).