N-[1-[4-(2-methylpiperidin-1-yl)sulfonylbenzoyl]piperidin-4-yl]propane-1-sulfonamide

C21H33N3O5S2 — CID 55655242

IUPACN-[1-[4-(2-methylpiperidin-1-yl)sulfonylbenzoyl]piperidin-4-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCCC3C)cc2)CC1
InChIInChI=1S/C21H33N3O5S2/c1-3-16-30(26,27)22-19-11-14-23(15-12-19)21(25)18-7-9-20(10-8-18)31(28,29)24-13-5-4-6-17(24)2/h7-10,17,19,22H,3-6,11-16H2,1-2H3
InChIKeyFBBOCEBNIYVPEE-UHFFFAOYSA-N
MW471.65 g/mol
LogP2.18
Rot. Bonds7

About N-[1-[4-(2-methylpiperidin-1-yl)sulfonylbenzoyl]piperidin-4-yl]propane-1-sulfonamide

N-[1-[4-(2-methylpiperidin-1-yl)sulfonylbenzoyl]piperidin-4-yl]propane-1-sulfonamide (PubChem CID 55655242) has the molecular formula C21H33N3O5S2 and a molecular weight of 471.65 g/mol. Its IUPAC name is N-[1-[4-(2-methylpiperidin-1-yl)sulfonylbenzoyl]piperidin-4-yl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-[4-(2-methylpiperidin-1-yl)sulfonylbenzoyl]piperidin-4-yl]propane-1-sulfonamide
PubChem CID55655242
Molecular FormulaC21H33N3O5S2
Molecular Weight471.65 g/mol
Exact Mass471.19
IUPAC NameN-[1-[4-(2-methylpiperidin-1-yl)sulfonylbenzoyl]piperidin-4-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCCC3C)cc2)CC1
InChIInChI=1S/C21H33N3O5S2/c1-3-16-30(26,27)22-19-11-14-23(15-12-19)21(25)18-7-9-20(10-8-18)31(28,29)24-13-5-4-6-17(24)2/h7-10,17,19,22H,3-6,11-16H2,1-2H3
InChIKeyFBBOCEBNIYVPEE-UHFFFAOYSA-N
XLogP2.18
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.65
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[4-(2-methylpiperidin-1-yl)sulfonylbenzoyl]piperidin-4-yl]propane-1-sulfonamide with MolForge

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Related Compounds

(4-aminopiperidin-1-yl)-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone;hydrochloride
CID 119376603
N-benzyl-1-[4-(2-methylpiperidin-1-yl)sulfonylbenzoyl]piperidine-4-carboxamide
CID 46613222
methyl 4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzoate
CID 787656
(2-methylpiperidin-1-yl)-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone
CID 631597
[4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]-(4-phenylpiperazin-1-yl)methanone
CID 8713585
(3S)-1-[4-(2-methylpiperidin-1-yl)sulfonylbenzoyl]piperidine-3-carboxylic acid
CID 119113675
[2-(methylaminomethyl)pyrrolidin-1-yl]-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone;hydrochloride
CID 119651900
N-[1-(4-aminobenzoyl)piperidin-4-yl]ethanesulfonamide
CID 60962899
N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butane-1-sulfonamide
CID 110821222
[2-oxo-2-(pentan-3-ylamino)ethyl] 4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate
CID 7881646
1-[4-(2-methylpiperidin-1-yl)sulfonylbenzoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55952012
N-[1-[4-(difluoromethylsulfanyl)benzoyl]piperidin-4-yl]propane-1-sulfonamide
CID 38817744

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2-methylpiperidin-1-yl)sulfonylbenzoyl]piperidin-4-yl]propane-1-sulfonamide?
The IUPAC name of N-[1-[4-(2-methylpiperidin-1-yl)sulfonylbenzoyl]piperidin-4-yl]propane-1-sulfonamide (CID 55655242) is N-[1-[4-(2-methylpiperidin-1-yl)sulfonylbenzoyl]piperidin-4-yl]propane-1-sulfonamide.
What is the SMILES notation for N-[1-[4-(2-methylpiperidin-1-yl)sulfonylbenzoyl]piperidin-4-yl]propane-1-sulfonamide?
The canonical SMILES for N-[1-[4-(2-methylpiperidin-1-yl)sulfonylbenzoyl]piperidin-4-yl]propane-1-sulfonamide is CCCS(=O)(=O)NC1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCCC3C)cc2)CC1.
What is the InChIKey of N-[1-[4-(2-methylpiperidin-1-yl)sulfonylbenzoyl]piperidin-4-yl]propane-1-sulfonamide?
The InChIKey is FBBOCEBNIYVPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O5S2/c1-3-16-30(26,27)22-19-11-14-23(15-12-19)21(25)18-7-9-20(10-8-18)31(28,29)24-13-5-4-6-17(24)2/h7-10,17,19,22H,3-6,11-16H2,1-2H3.
What are the key properties of N-[1-[4-(2-methylpiperidin-1-yl)sulfonylbenzoyl]piperidin-4-yl]propane-1-sulfonamide?
N-[1-[4-(2-methylpiperidin-1-yl)sulfonylbenzoyl]piperidin-4-yl]propane-1-sulfonamide has a molecular weight of 471.65 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2-methylpiperidin-1-yl)sulfonylbenzoyl]piperidin-4-yl]propane-1-sulfonamide is sourced from PubChem (CID 55655242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).