N-[2-[[4-[(S)-thiophen-2-yl(thiophen-3-yl)methoxy]piperidin-1-yl]methyl]phenyl]methanesulfonamide

C22H26N2O3S3 — CID 135028094

IUPACN-[2-[[4-[(S)-thiophen-2-yl(thiophen-3-yl)methoxy]piperidin-1-yl]methyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccccc1CN1CCC(O[C@@H](c2ccsc2)c2cccs2)CC1
InChIInChI=1S/C22H26N2O3S3/c1-30(25,26)23-20-6-3-2-5-17(20)15-24-11-8-19(9-12-24)27-22(18-10-14-28-16-18)21-7-4-13-29-21/h2-7,10,13-14,16,19,22-23H,8-9,11-12,15H2,1H3/t22-/m0/s1
InChIKeyKOCJRMVIXDCJTH-QFIPXVFZSA-N
MW462.66 g/mol
LogP4.95
Rot. Bonds8

About N-[2-[[4-[(S)-thiophen-2-yl(thiophen-3-yl)methoxy]piperidin-1-yl]methyl]phenyl]methanesulfonamide

N-[2-[[4-[(S)-thiophen-2-yl(thiophen-3-yl)methoxy]piperidin-1-yl]methyl]phenyl]methanesulfonamide (PubChem CID 135028094) has the molecular formula C22H26N2O3S3 and a molecular weight of 462.66 g/mol. Its IUPAC name is N-[2-[[4-[(S)-thiophen-2-yl(thiophen-3-yl)methoxy]piperidin-1-yl]methyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[[4-[(S)-thiophen-2-yl(thiophen-3-yl)methoxy]piperidin-1-yl]methyl]phenyl]methanesulfonamide
PubChem CID135028094
Molecular FormulaC22H26N2O3S3
Molecular Weight462.66 g/mol
Exact Mass462.11
IUPAC NameN-[2-[[4-[(S)-thiophen-2-yl(thiophen-3-yl)methoxy]piperidin-1-yl]methyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccccc1CN1CCC(O[C@@H](c2ccsc2)c2cccs2)CC1
InChIInChI=1S/C22H26N2O3S3/c1-30(25,26)23-20-6-3-2-5-17(20)15-24-11-8-19(9-12-24)27-22(18-10-14-28-16-18)21-7-4-13-29-21/h2-7,10,13-14,16,19,22-23H,8-9,11-12,15H2,1H3/t22-/m0/s1
InChIKeyKOCJRMVIXDCJTH-QFIPXVFZSA-N
XLogP4.95
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.66
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-[(S)-thiophen-2-yl(thiophen-3-yl)methoxy]piperidin-1-yl]methyl]phenyl]methanesulfonamide?
The IUPAC name of N-[2-[[4-[(S)-thiophen-2-yl(thiophen-3-yl)methoxy]piperidin-1-yl]methyl]phenyl]methanesulfonamide (CID 135028094) is N-[2-[[4-[(S)-thiophen-2-yl(thiophen-3-yl)methoxy]piperidin-1-yl]methyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-[[4-[(S)-thiophen-2-yl(thiophen-3-yl)methoxy]piperidin-1-yl]methyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-[[4-[(S)-thiophen-2-yl(thiophen-3-yl)methoxy]piperidin-1-yl]methyl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccccc1CN1CCC(O[C@@H](c2ccsc2)c2cccs2)CC1.
What is the InChIKey of N-[2-[[4-[(S)-thiophen-2-yl(thiophen-3-yl)methoxy]piperidin-1-yl]methyl]phenyl]methanesulfonamide?
The InChIKey is KOCJRMVIXDCJTH-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H26N2O3S3/c1-30(25,26)23-20-6-3-2-5-17(20)15-24-11-8-19(9-12-24)27-22(18-10-14-28-16-18)21-7-4-13-29-21/h2-7,10,13-14,16,19,22-23H,8-9,11-12,15H2,1H3/t22-/m0/s1.
What are the key properties of N-[2-[[4-[(S)-thiophen-2-yl(thiophen-3-yl)methoxy]piperidin-1-yl]methyl]phenyl]methanesulfonamide?
N-[2-[[4-[(S)-thiophen-2-yl(thiophen-3-yl)methoxy]piperidin-1-yl]methyl]phenyl]methanesulfonamide has a molecular weight of 462.66 g/mol, XLogP of 4.95, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-[(S)-thiophen-2-yl(thiophen-3-yl)methoxy]piperidin-1-yl]methyl]phenyl]methanesulfonamide is sourced from PubChem (CID 135028094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).