N-[(3-piperidin-1-ylsulfonylphenyl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride

C16H24ClN3O3S2 — CID 119312829

IUPACN-[(3-piperidin-1-ylsulfonylphenyl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCl.O=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)C1CSCN1
InChIInChI=1S/C16H23N3O3S2.ClH/c20-16(15-11-23-12-18-15)17-10-13-5-4-6-14(9-13)24(21,22)19-7-2-1-3-8-19;/h4-6,9,15,18H,1-3,7-8,10-12H2,(H,17,20);1H
InChIKeyGJZRRUWZIMGUGG-UHFFFAOYSA-N
MW405.97 g/mol
LogP1.56
Rot. Bonds5

About N-[(3-piperidin-1-ylsulfonylphenyl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride

N-[(3-piperidin-1-ylsulfonylphenyl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride (PubChem CID 119312829) has the molecular formula C16H24ClN3O3S2 and a molecular weight of 405.97 g/mol. Its IUPAC name is N-[(3-piperidin-1-ylsulfonylphenyl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(3-piperidin-1-ylsulfonylphenyl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
PubChem CID119312829
Molecular FormulaC16H24ClN3O3S2
Molecular Weight405.97 g/mol
Exact Mass405.09
IUPAC NameN-[(3-piperidin-1-ylsulfonylphenyl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCl.O=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)C1CSCN1
InChIInChI=1S/C16H23N3O3S2.ClH/c20-16(15-11-23-12-18-15)17-10-13-5-4-6-14(9-13)24(21,22)19-7-2-1-3-8-19;/h4-6,9,15,18H,1-3,7-8,10-12H2,(H,17,20);1H
InChIKeyGJZRRUWZIMGUGG-UHFFFAOYSA-N
XLogP1.56
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.97
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

cis-(1R,2S)-2-methyl-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]cyclopropane-1-carboxamide
CID 95285827
N-[(3-piperidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 119312856
N-benzyl-1,3-thiazolidine-4-carboxamide
CID 24693076
N-[(3-methoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119265285
N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119830904
2-methyl-3-(methylamino)-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]propanamide;hydrochloride
CID 119765108
4-amino-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]butanamide
CID 119312860
N-[[3-(propylcarbamoyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 119287347
N-[(3-sulfamoylphenyl)methyl]azepane-2-carboxamide
CID 64562054
5-methoxy-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]pentanamide
CID 60621896
1-cyclopentyl-2-methyl-3-[(3-piperidin-1-ylsulfonylphenyl)methyl]guanidine
CID 110991501
N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119876122

Frequently Asked Questions

What is the IUPAC name of N-[(3-piperidin-1-ylsulfonylphenyl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[(3-piperidin-1-ylsulfonylphenyl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride (CID 119312829) is N-[(3-piperidin-1-ylsulfonylphenyl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[(3-piperidin-1-ylsulfonylphenyl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[(3-piperidin-1-ylsulfonylphenyl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride is Cl.O=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)C1CSCN1.
What is the InChIKey of N-[(3-piperidin-1-ylsulfonylphenyl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
The InChIKey is GJZRRUWZIMGUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S2.ClH/c20-16(15-11-23-12-18-15)17-10-13-5-4-6-14(9-13)24(21,22)19-7-2-1-3-8-19;/h4-6,9,15,18H,1-3,7-8,10-12H2,(H,17,20);1H.
What are the key properties of N-[(3-piperidin-1-ylsulfonylphenyl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
N-[(3-piperidin-1-ylsulfonylphenyl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride has a molecular weight of 405.97 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-piperidin-1-ylsulfonylphenyl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119312829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).