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

C16H28ClN3O3S2 — CID 119802226

IUPAC4-(methylamino)-N-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethyl]butanamide;hydrochloride
SMILESCNCCCC(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)s1.Cl
InChIInChI=1S/C16H27N3O3S2.ClH/c1-17-10-5-6-15(20)18-11-9-14-7-8-16(23-14)24(21,22)19-12-3-2-4-13-19;/h7-8,17H,2-6,9-13H2,1H3,(H,18,20);1H
InChIKeySEBPPOXVYOTAPA-UHFFFAOYSA-N
MW410.01 g/mol
LogP2.00
Rot. Bonds9

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

4-(methylamino)-N-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethyl]butanamide;hydrochloride (PubChem CID 119802226) has the molecular formula C16H28ClN3O3S2 and a molecular weight of 410.01 g/mol. Its IUPAC name is 4-(methylamino)-N-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethyl]butanamide;hydrochloride.

Molecular Properties

Compound Name4-(methylamino)-N-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethyl]butanamide;hydrochloride
PubChem CID119802226
Molecular FormulaC16H28ClN3O3S2
Molecular Weight410.01 g/mol
Exact Mass409.13
IUPAC Name4-(methylamino)-N-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethyl]butanamide;hydrochloride
SMILESCNCCCC(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)s1.Cl
InChIInChI=1S/C16H27N3O3S2.ClH/c1-17-10-5-6-15(20)18-11-9-14-7-8-16(23-14)24(21,22)19-12-3-2-4-13-19;/h7-8,17H,2-6,9-13H2,1H3,(H,18,20);1H
InChIKeySEBPPOXVYOTAPA-UHFFFAOYSA-N
XLogP2.00
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.01
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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
3-amino-N-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethyl]propanamide;hydrochloride
CID 119334218
2-(2-methoxyethylamino)-N-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethyl]acetamide
CID 119802253
(2S)-2-amino-4-methyl-N-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethyl]pentanamide;hydrochloride
CID 119802258
5-[[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetyl]amino]pentanoic acid
CID 119234105
N-butyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 51155075
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
methyl 7-[[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetyl]amino]heptanoate
CID 46420163
N-hexyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 51156188
N-(3-aminobutyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide;hydrochloride
CID 119497975

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethyl]butanamide;hydrochloride?
The IUPAC name of 4-(methylamino)-N-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethyl]butanamide;hydrochloride (CID 119802226) is 4-(methylamino)-N-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethyl]butanamide;hydrochloride.
What is the SMILES notation for 4-(methylamino)-N-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethyl]butanamide;hydrochloride?
The canonical SMILES for 4-(methylamino)-N-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethyl]butanamide;hydrochloride is CNCCCC(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)s1.Cl.
What is the InChIKey of 4-(methylamino)-N-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethyl]butanamide;hydrochloride?
The InChIKey is SEBPPOXVYOTAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3S2.ClH/c1-17-10-5-6-15(20)18-11-9-14-7-8-16(23-14)24(21,22)19-12-3-2-4-13-19;/h7-8,17H,2-6,9-13H2,1H3,(H,18,20);1H.
What are the key properties of 4-(methylamino)-N-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethyl]butanamide;hydrochloride?
4-(methylamino)-N-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethyl]butanamide;hydrochloride has a molecular weight of 410.01 g/mol, XLogP of 2.00, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethyl]butanamide;hydrochloride is sourced from PubChem (CID 119802226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).