N-[1-(5-pyrrolidin-2-ylthiophene-2-carbonyl)piperidin-4-yl]methanesulfonamide

C15H23N3O3S2 — CID 45223177

IUPACN-[1-(5-pyrrolidin-2-ylthiophene-2-carbonyl)piperidin-4-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(C(=O)c2ccc(C3CCCN3)s2)CC1
InChIInChI=1S/C15H23N3O3S2/c1-23(20,21)17-11-6-9-18(10-7-11)15(19)14-5-4-13(22-14)12-3-2-8-16-12/h4-5,11-12,16-17H,2-3,6-10H2,1H3
InChIKeyACWJZOMVZGZQSG-UHFFFAOYSA-N
MW357.50 g/mol
LogP1.33
Rot. Bonds4

About N-[1-(5-pyrrolidin-2-ylthiophene-2-carbonyl)piperidin-4-yl]methanesulfonamide

N-[1-(5-pyrrolidin-2-ylthiophene-2-carbonyl)piperidin-4-yl]methanesulfonamide (PubChem CID 45223177) has the molecular formula C15H23N3O3S2 and a molecular weight of 357.50 g/mol. Its IUPAC name is N-[1-(5-pyrrolidin-2-ylthiophene-2-carbonyl)piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(5-pyrrolidin-2-ylthiophene-2-carbonyl)piperidin-4-yl]methanesulfonamide
PubChem CID45223177
Molecular FormulaC15H23N3O3S2
Molecular Weight357.50 g/mol
Exact Mass357.12
IUPAC NameN-[1-(5-pyrrolidin-2-ylthiophene-2-carbonyl)piperidin-4-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(C(=O)c2ccc(C3CCCN3)s2)CC1
InChIInChI=1S/C15H23N3O3S2/c1-23(20,21)17-11-6-9-18(10-7-11)15(19)14-5-4-13(22-14)12-3-2-8-16-12/h4-5,11-12,16-17H,2-3,6-10H2,1H3
InChIKeyACWJZOMVZGZQSG-UHFFFAOYSA-N
XLogP1.33
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(4-methylphenoxy)piperidin-1-yl]-(5-pyrrolidin-2-ylthiophen-2-yl)methanone
CID 70757931
(4-pyridin-4-ylpiperidin-1-yl)-(5-pyrrolidin-2-ylthiophen-2-yl)methanone
CID 70713179
[4-(morpholine-4-carbonyl)piperazin-1-yl]-(5-pyrrolidin-2-ylthiophen-2-yl)methanone
CID 45204442
methyl 5-pyrrolidin-2-ylthiophene-2-carboxylate
CID 130001149
N-[1-(4,5-dibromothiophene-2-carbonyl)piperidin-4-yl]methanesulfonamide
CID 112723098
(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-(5-pyrrolidin-2-ylthiophen-2-yl)methanone
CID 45179140
N-[1-[(2R)-pyrrolidine-2-carbonyl]piperidin-4-yl]methanesulfonamide
CID 103794357
N-[1-(3-aminothiophene-2-carbonyl)piperidin-4-yl]methanesulfonamide
CID 61105540
N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]methanesulfonamide
CID 108567177
N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]methanesulfonamide
CID 108564444
N-[1-(2-bromo-5-fluorobenzoyl)piperidin-4-yl]methanesulfonamide
CID 60706031
N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)-5-[(2R)-pyrrolidin-2-yl]thiophene-2-carboxamide
CID 31106243

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-pyrrolidin-2-ylthiophene-2-carbonyl)piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-(5-pyrrolidin-2-ylthiophene-2-carbonyl)piperidin-4-yl]methanesulfonamide (CID 45223177) is N-[1-(5-pyrrolidin-2-ylthiophene-2-carbonyl)piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(5-pyrrolidin-2-ylthiophene-2-carbonyl)piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-(5-pyrrolidin-2-ylthiophene-2-carbonyl)piperidin-4-yl]methanesulfonamide is CS(=O)(=O)NC1CCN(C(=O)c2ccc(C3CCCN3)s2)CC1.
What is the InChIKey of N-[1-(5-pyrrolidin-2-ylthiophene-2-carbonyl)piperidin-4-yl]methanesulfonamide?
The InChIKey is ACWJZOMVZGZQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S2/c1-23(20,21)17-11-6-9-18(10-7-11)15(19)14-5-4-13(22-14)12-3-2-8-16-12/h4-5,11-12,16-17H,2-3,6-10H2,1H3.
What are the key properties of N-[1-(5-pyrrolidin-2-ylthiophene-2-carbonyl)piperidin-4-yl]methanesulfonamide?
N-[1-(5-pyrrolidin-2-ylthiophene-2-carbonyl)piperidin-4-yl]methanesulfonamide has a molecular weight of 357.50 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-pyrrolidin-2-ylthiophene-2-carbonyl)piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 45223177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).