N-[1-(4-piperidin-1-ylsulfonylphenyl)sulfonylpiperidin-3-yl]methanesulfonamide

C17H27N3O6S3 — CID 55663474

IUPACN-[1-(4-piperidin-1-ylsulfonylphenyl)sulfonylpiperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)C1
InChIInChI=1S/C17H27N3O6S3/c1-27(21,22)18-15-6-5-13-20(14-15)29(25,26)17-9-7-16(8-10-17)28(23,24)19-11-3-2-4-12-19/h7-10,15,18H,2-6,11-14H2,1H3
InChIKeySZZNTDRCLDTYDP-UHFFFAOYSA-N
MW465.62 g/mol
LogP0.56
Rot. Bonds6

About N-[1-(4-piperidin-1-ylsulfonylphenyl)sulfonylpiperidin-3-yl]methanesulfonamide

N-[1-(4-piperidin-1-ylsulfonylphenyl)sulfonylpiperidin-3-yl]methanesulfonamide (PubChem CID 55663474) has the molecular formula C17H27N3O6S3 and a molecular weight of 465.62 g/mol. Its IUPAC name is N-[1-(4-piperidin-1-ylsulfonylphenyl)sulfonylpiperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(4-piperidin-1-ylsulfonylphenyl)sulfonylpiperidin-3-yl]methanesulfonamide
PubChem CID55663474
Molecular FormulaC17H27N3O6S3
Molecular Weight465.62 g/mol
Exact Mass465.11
IUPAC NameN-[1-(4-piperidin-1-ylsulfonylphenyl)sulfonylpiperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)C1
InChIInChI=1S/C17H27N3O6S3/c1-27(21,22)18-15-6-5-13-20(14-15)29(25,26)17-9-7-16(8-10-17)28(23,24)19-11-3-2-4-12-19/h7-10,15,18H,2-6,11-14H2,1H3
InChIKeySZZNTDRCLDTYDP-UHFFFAOYSA-N
XLogP0.56
TPSA120.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.62
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(methanesulfonamido)-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-1-carboxamide
CID 47038794
1-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]sulfonylazepane
CID 3184670
4-(azepan-1-ylsulfonyl)-N-cyclohexylbenzenesulfonamide
CID 1167072
1-(4-chlorophenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62536582
N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanesulfonamide
CID 17484951
N-methyl-1-(4-methylsulfanylphenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 120714741
4-[3-(methylamino)piperidin-1-yl]sulfonylbenzonitrile
CID 62536756
N-[1-(4-methylsulfonylphenyl)piperidin-3-yl]methanesulfonamide
CID 163354197
1-[4-(methoxymethyl)phenyl]sulfonyl-N-methylpiperidin-3-amine
CID 120715228
N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-3-yl]methanesulfonamide
CID 61047427
N-[(3S)-1-(4-acetamidophenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide
CID 58656229
(3S)-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine-3-sulfonamide
CID 97257934

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-piperidin-1-ylsulfonylphenyl)sulfonylpiperidin-3-yl]methanesulfonamide?
The IUPAC name of N-[1-(4-piperidin-1-ylsulfonylphenyl)sulfonylpiperidin-3-yl]methanesulfonamide (CID 55663474) is N-[1-(4-piperidin-1-ylsulfonylphenyl)sulfonylpiperidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(4-piperidin-1-ylsulfonylphenyl)sulfonylpiperidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[1-(4-piperidin-1-ylsulfonylphenyl)sulfonylpiperidin-3-yl]methanesulfonamide is CS(=O)(=O)NC1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)C1.
What is the InChIKey of N-[1-(4-piperidin-1-ylsulfonylphenyl)sulfonylpiperidin-3-yl]methanesulfonamide?
The InChIKey is SZZNTDRCLDTYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O6S3/c1-27(21,22)18-15-6-5-13-20(14-15)29(25,26)17-9-7-16(8-10-17)28(23,24)19-11-3-2-4-12-19/h7-10,15,18H,2-6,11-14H2,1H3.
What are the key properties of N-[1-(4-piperidin-1-ylsulfonylphenyl)sulfonylpiperidin-3-yl]methanesulfonamide?
N-[1-(4-piperidin-1-ylsulfonylphenyl)sulfonylpiperidin-3-yl]methanesulfonamide has a molecular weight of 465.62 g/mol, XLogP of 0.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-piperidin-1-ylsulfonylphenyl)sulfonylpiperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 55663474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).