N-(3-aminopropyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide

C14H23N3O3S2 — CID 119407534

IUPACN-(3-aminopropyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
SMILESNCCCNC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1
InChIInChI=1S/C14H23N3O3S2/c15-7-4-8-16-13(18)11-12-5-6-14(21-12)22(19,20)17-9-2-1-3-10-17/h5-6H,1-4,7-11,15H2,(H,16,18)
InChIKeyKFMLDDLSJQGHBO-UHFFFAOYSA-N
MW345.49 g/mol
LogP0.93
Rot. Bonds7

About N-(3-aminopropyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide

N-(3-aminopropyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide (PubChem CID 119407534) has the molecular formula C14H23N3O3S2 and a molecular weight of 345.49 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
PubChem CID119407534
Molecular FormulaC14H23N3O3S2
Molecular Weight345.49 g/mol
Exact Mass345.12
IUPAC NameN-(3-aminopropyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
SMILESNCCCNC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1
InChIInChI=1S/C14H23N3O3S2/c15-7-4-8-16-13(18)11-12-5-6-14(21-12)22(19,20)17-9-2-1-3-10-17/h5-6H,1-4,7-11,15H2,(H,16,18)
InChIKeyKFMLDDLSJQGHBO-UHFFFAOYSA-N
XLogP0.93
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 50.93
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

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
N-hexyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 51156188
4-amino-N-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethyl]butanamide
CID 119334239
4-amino-N-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethyl]butanamide;hydrochloride
CID 119334238
N-(3-phenoxypropyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 55431438
methyl 7-[[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetyl]amino]heptanoate
CID 46420163
N-(3-aminobutyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide;hydrochloride
CID 119497975
N-(2-amino-2-methylpropyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 119627872
N-[2-(4-aminophenyl)ethyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 119548449
3-amino-N-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethyl]propanamide;hydrochloride
CID 119334218
N-[3-(4-phenylpiperazin-1-yl)propyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 33139402

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide?
The IUPAC name of N-(3-aminopropyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide (CID 119407534) is N-(3-aminopropyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide.
What is the SMILES notation for N-(3-aminopropyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide?
The canonical SMILES for N-(3-aminopropyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide is NCCCNC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1.
What is the InChIKey of N-(3-aminopropyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide?
The InChIKey is KFMLDDLSJQGHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S2/c15-7-4-8-16-13(18)11-12-5-6-14(21-12)22(19,20)17-9-2-1-3-10-17/h5-6H,1-4,7-11,15H2,(H,16,18).
What are the key properties of N-(3-aminopropyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide?
N-(3-aminopropyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide has a molecular weight of 345.49 g/mol, XLogP of 0.93, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide is sourced from PubChem (CID 119407534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).