N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide;hydrochloride

C15H24ClN3O4S2 — CID 120943095

IUPACN-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)N2CCCC2C(=O)NCC2CNCC2O)s1.Cl
InChIInChI=1S/C15H23N3O4S2.ClH/c1-10-4-5-14(23-10)24(21,22)18-6-2-3-12(18)15(20)17-8-11-7-16-9-13(11)19;/h4-5,11-13,16,19H,2-3,6-9H2,1H3,(H,17,20);1H
InChIKeyUSOODDOSCCFGHZ-UHFFFAOYSA-N
MW409.96 g/mol
LogP0.33
Rot. Bonds5

About N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide;hydrochloride

N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide;hydrochloride (PubChem CID 120943095) has the molecular formula C15H24ClN3O4S2 and a molecular weight of 409.96 g/mol. Its IUPAC name is N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide;hydrochloride
PubChem CID120943095
Molecular FormulaC15H24ClN3O4S2
Molecular Weight409.96 g/mol
Exact Mass409.09
IUPAC NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)N2CCCC2C(=O)NCC2CNCC2O)s1.Cl
InChIInChI=1S/C15H23N3O4S2.ClH/c1-10-4-5-14(23-10)24(21,22)18-6-2-3-12(18)15(20)17-8-11-7-16-9-13(11)19;/h4-5,11-13,16,19H,2-3,6-9H2,1H3,(H,17,20);1H
InChIKeyUSOODDOSCCFGHZ-UHFFFAOYSA-N
XLogP0.33
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.96
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 120946839
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide;hydrochloride
CID 120945882
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]methanone;hydrochloride
CID 120655530
N-cyclohexyl-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide
CID 42943806
(2S)-N-[(3-methylphenyl)methyl]-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide
CID 33283433
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide
CID 56807693
N-(2-amino-2-phenylethyl)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide
CID 119528962
N-(1,3-benzodioxol-5-ylmethyl)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide
CID 56807672
[4-(ethylaminomethyl)piperidin-1-yl]-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]methanone
CID 119647161
N-[1-(5-methylfuran-2-yl)ethyl]-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide
CID 134001822
(4-aminopiperidin-1-yl)-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]methanone;hydrochloride
CID 119375688
N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide
CID 60599558

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide;hydrochloride (CID 120943095) is N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide;hydrochloride is Cc1ccc(S(=O)(=O)N2CCCC2C(=O)NCC2CNCC2O)s1.Cl.
What is the InChIKey of N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is USOODDOSCCFGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S2.ClH/c1-10-4-5-14(23-10)24(21,22)18-6-2-3-12(18)15(20)17-8-11-7-16-9-13(11)19;/h4-5,11-13,16,19H,2-3,6-9H2,1H3,(H,17,20);1H.
What are the key properties of N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide;hydrochloride?
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 409.96 g/mol, XLogP of 0.33, 5 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]-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 120943095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).