3-(methanesulfonamido)-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-1-carboxamide

C17H26N4O5S2 — CID 47038794

IUPAC3-(methanesulfonamido)-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-1-carboxamide
SMILESCS(=O)(=O)NC1CCCN(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)C1
InChIInChI=1S/C17H26N4O5S2/c1-27(23,24)19-15-5-4-10-20(13-15)17(22)18-14-6-8-16(9-7-14)28(25,26)21-11-2-3-12-21/h6-9,15,19H,2-5,10-13H2,1H3,(H,18,22)
InChIKeyZFMDUZZHUPFPMG-UHFFFAOYSA-N
MW430.55 g/mol
LogP1.02
Rot. Bonds5

About 3-(methanesulfonamido)-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-1-carboxamide

3-(methanesulfonamido)-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-1-carboxamide (PubChem CID 47038794) has the molecular formula C17H26N4O5S2 and a molecular weight of 430.55 g/mol. Its IUPAC name is 3-(methanesulfonamido)-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(methanesulfonamido)-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-1-carboxamide
PubChem CID47038794
Molecular FormulaC17H26N4O5S2
Molecular Weight430.55 g/mol
Exact Mass430.13
IUPAC Name3-(methanesulfonamido)-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-1-carboxamide
SMILESCS(=O)(=O)NC1CCCN(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)C1
InChIInChI=1S/C17H26N4O5S2/c1-27(23,24)19-15-5-4-10-20(13-15)17(22)18-14-6-8-16(9-7-14)28(25,26)21-11-2-3-12-21/h6-9,15,19H,2-5,10-13H2,1H3,(H,18,22)
InChIKeyZFMDUZZHUPFPMG-UHFFFAOYSA-N
XLogP1.02
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-piperidin-1-ylsulfonylphenyl)sulfonylpiperidin-3-yl]methanesulfonamide
CID 55663474
N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-1-carboxamide
CID 6460433
N-(4-piperidin-1-ylsulfonylphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
CID 20628894
N-(4-piperidin-1-ylsulfonylphenyl)-1-propanoylpiperidine-3-carboxamide
CID 55811063
N-[4-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 41009001
(3R)-1-(4-methylphenyl)sulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 100664460
(3R)-3-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]piperidine-1,3-dicarboxamide
CID 9086541
N-[4-[4-(piperidine-1-carbonyl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 26947333
1-[3-(methylamino)piperidin-1-yl]-2-(4-piperidin-1-ylsulfonylphenyl)ethanone;hydrochloride
CID 119489160
N-(4-piperidin-1-ylsulfonylphenyl)cyclohexanecarboxamide
CID 1013273
2-[3-(methanesulfonamido)piperidin-1-yl]-N-(4-methylphenyl)acetamide
CID 163352401
(3R)-1-(dimethylsulfamoyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 93487555

Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfonamido)-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-1-carboxamide?
The IUPAC name of 3-(methanesulfonamido)-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-1-carboxamide (CID 47038794) is 3-(methanesulfonamido)-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-(methanesulfonamido)-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-1-carboxamide?
The canonical SMILES for 3-(methanesulfonamido)-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-1-carboxamide is CS(=O)(=O)NC1CCCN(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)C1.
What is the InChIKey of 3-(methanesulfonamido)-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-1-carboxamide?
The InChIKey is ZFMDUZZHUPFPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O5S2/c1-27(23,24)19-15-5-4-10-20(13-15)17(22)18-14-6-8-16(9-7-14)28(25,26)21-11-2-3-12-21/h6-9,15,19H,2-5,10-13H2,1H3,(H,18,22).
What are the key properties of 3-(methanesulfonamido)-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-1-carboxamide?
3-(methanesulfonamido)-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-1-carboxamide has a molecular weight of 430.55 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfonamido)-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 47038794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).