3-amino-N-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethyl]propanamide;hydrochloride

C14H24ClN3O3S2 — CID 119334218

IUPAC3-amino-N-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethyl]propanamide;hydrochloride
SMILESCl.NCCC(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)s1
InChIInChI=1S/C14H23N3O3S2.ClH/c15-8-6-13(18)16-9-7-12-4-5-14(21-12)22(19,20)17-10-2-1-3-11-17;/h4-5H,1-3,6-11,15H2,(H,16,18);1H
InChIKeyJCLFXQFVCDMRBM-UHFFFAOYSA-N
MW381.95 g/mol
LogP1.35
Rot. Bonds7

About 3-amino-N-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethyl]propanamide;hydrochloride

3-amino-N-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethyl]propanamide;hydrochloride (PubChem CID 119334218) has the molecular formula C14H24ClN3O3S2 and a molecular weight of 381.95 g/mol. Its IUPAC name is 3-amino-N-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethyl]propanamide;hydrochloride
PubChem CID119334218
Molecular FormulaC14H24ClN3O3S2
Molecular Weight381.95 g/mol
Exact Mass381.09
IUPAC Name3-amino-N-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethyl]propanamide;hydrochloride
SMILESCl.NCCC(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)s1
InChIInChI=1S/C14H23N3O3S2.ClH/c15-8-6-13(18)16-9-7-12-4-5-14(21-12)22(19,20)17-10-2-1-3-11-17;/h4-5H,1-3,6-11,15H2,(H,16,18);1H
InChIKeyJCLFXQFVCDMRBM-UHFFFAOYSA-N
XLogP1.35
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.95
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethyl]butanamide;hydrochloride
CID 119334238
4-amino-N-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethyl]butanamide
CID 119334239
4-(methylamino)-N-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethyl]butanamide;hydrochloride
CID 119802226
2-amino-N-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethyl]benzamide;hydrochloride
CID 119945738
N-(3-aminopropyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 119407534
(2S)-2-amino-4-methyl-N-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethyl]pentanamide;hydrochloride
CID 119802258
2-(2-methoxyethylamino)-N-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethyl]acetamide
CID 119802253
N-[2-(4-aminophenyl)ethyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 119548449
5-[[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetyl]amino]pentanoic acid
CID 119234105
N-(3-aminobutyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide;hydrochloride
CID 119497975
N-butyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 51155075
N-[(4-chlorophenyl)methyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 8713130

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethyl]propanamide;hydrochloride (CID 119334218) is 3-amino-N-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethyl]propanamide;hydrochloride is Cl.NCCC(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)s1.
What is the InChIKey of 3-amino-N-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethyl]propanamide;hydrochloride?
The InChIKey is JCLFXQFVCDMRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S2.ClH/c15-8-6-13(18)16-9-7-12-4-5-14(21-12)22(19,20)17-10-2-1-3-11-17;/h4-5H,1-3,6-11,15H2,(H,16,18);1H.
What are the key properties of 3-amino-N-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethyl]propanamide;hydrochloride?
3-amino-N-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethyl]propanamide;hydrochloride has a molecular weight of 381.95 g/mol, XLogP of 1.35, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethyl]propanamide;hydrochloride is sourced from PubChem (CID 119334218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).