N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide;hydrochloride

C15H24ClN3O4S2 — CID 120946794

IUPACN-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide;hydrochloride
SMILESCl.O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)NCC1CNCC1O
InChIInChI=1S/C15H23N3O4S2.ClH/c19-13-10-16-8-11(13)9-17-14(20)7-12-3-4-15(23-12)24(21,22)18-5-1-2-6-18;/h3-4,11,13,16,19H,1-2,5-10H2,(H,17,20);1H
InChIKeyNUQJNJNOEWXRAV-UHFFFAOYSA-N
MW409.96 g/mol
LogP0.19
Rot. Bonds6

About N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide;hydrochloride

N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide;hydrochloride (PubChem CID 120946794) has the molecular formula C15H24ClN3O4S2 and a molecular weight of 409.96 g/mol. Its IUPAC name is N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide;hydrochloride
PubChem CID120946794
Molecular FormulaC15H24ClN3O4S2
Molecular Weight409.96 g/mol
Exact Mass409.09
IUPAC NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide;hydrochloride
SMILESCl.O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)NCC1CNCC1O
InChIInChI=1S/C15H23N3O4S2.ClH/c19-13-10-16-8-11(13)9-17-14(20)7-12-3-4-15(23-12)24(21,22)18-5-1-2-6-18;/h3-4,11,13,16,19H,1-2,5-10H2,(H,17,20);1H
InChIKeyNUQJNJNOEWXRAV-UHFFFAOYSA-N
XLogP0.19
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.96
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-pyrrolidin-3-yl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 119451561
N-(2-amino-2-methylpropyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 119627872
N-butyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 51155075
N-(1-adamantylmethyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 26202930
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 120946839
N-(3-aminopropyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 119407534
N-hexyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 51156188
N-[(4-methylphenyl)methyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 26119177
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-[2-(aminomethyl)cyclohexyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide;hydrochloride
CID 119610644
N-[(4-chlorophenyl)methyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 8713130

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide;hydrochloride?
The IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide;hydrochloride (CID 120946794) is N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide;hydrochloride.
What is the SMILES notation for N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide;hydrochloride?
The canonical SMILES for N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide;hydrochloride is Cl.O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)NCC1CNCC1O.
What is the InChIKey of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide;hydrochloride?
The InChIKey is NUQJNJNOEWXRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S2.ClH/c19-13-10-16-8-11(13)9-17-14(20)7-12-3-4-15(23-12)24(21,22)18-5-1-2-6-18;/h3-4,11,13,16,19H,1-2,5-10H2,(H,17,20);1H.
What are the key properties of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide;hydrochloride?
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide;hydrochloride has a molecular weight of 409.96 g/mol, XLogP of 0.19, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide;hydrochloride is sourced from PubChem (CID 120946794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).