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

C15H26ClN3O3S2 — CID 119334238

IUPAC4-amino-N-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethyl]butanamide;hydrochloride
SMILESCl.NCCCC(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)s1
InChIInChI=1S/C15H25N3O3S2.ClH/c16-9-4-5-14(19)17-10-8-13-6-7-15(22-13)23(20,21)18-11-2-1-3-12-18;/h6-7H,1-5,8-12,16H2,(H,17,19);1H
InChIKeyKCHALWKQVKKFSD-UHFFFAOYSA-N
MW395.98 g/mol
LogP1.74
Rot. Bonds8

About 4-amino-N-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethyl]butanamide;hydrochloride

4-amino-N-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethyl]butanamide;hydrochloride (PubChem CID 119334238) has the molecular formula C15H26ClN3O3S2 and a molecular weight of 395.98 g/mol. Its IUPAC name is 4-amino-N-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethyl]butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethyl]butanamide;hydrochloride
PubChem CID119334238
Molecular FormulaC15H26ClN3O3S2
Molecular Weight395.98 g/mol
Exact Mass395.11
IUPAC Name4-amino-N-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethyl]butanamide;hydrochloride
SMILESCl.NCCCC(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)s1
InChIInChI=1S/C15H25N3O3S2.ClH/c16-9-4-5-14(19)17-10-8-13-6-7-15(22-13)23(20,21)18-11-2-1-3-12-18;/h6-7H,1-5,8-12,16H2,(H,17,19);1H
InChIKeyKCHALWKQVKKFSD-UHFFFAOYSA-N
XLogP1.74
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.98
LogP ≤ 51.74
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
CID 119334239
3-amino-N-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethyl]propanamide;hydrochloride
CID 119334218
4-(methylamino)-N-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethyl]butanamide;hydrochloride
CID 119802226
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-amino-N-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethyl]benzamide;hydrochloride
CID 119945738
2-(2-methoxyethylamino)-N-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethyl]acetamide
CID 119802253
5-[[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetyl]amino]pentanoic acid
CID 119234105
N-[2-(4-aminophenyl)ethyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 119548449
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
methyl 7-[[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetyl]amino]heptanoate
CID 46420163

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethyl]butanamide;hydrochloride?
The IUPAC name of 4-amino-N-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethyl]butanamide;hydrochloride (CID 119334238) is 4-amino-N-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethyl]butanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethyl]butanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethyl]butanamide;hydrochloride is Cl.NCCCC(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)s1.
What is the InChIKey of 4-amino-N-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethyl]butanamide;hydrochloride?
The InChIKey is KCHALWKQVKKFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3S2.ClH/c16-9-4-5-14(19)17-10-8-13-6-7-15(22-13)23(20,21)18-11-2-1-3-12-18;/h6-7H,1-5,8-12,16H2,(H,17,19);1H.
What are the key properties of 4-amino-N-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethyl]butanamide;hydrochloride?
4-amino-N-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethyl]butanamide;hydrochloride has a molecular weight of 395.98 g/mol, XLogP of 1.74, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethyl]butanamide;hydrochloride is sourced from PubChem (CID 119334238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).