N-[(5-methylthiophen-2-yl)methyl]-1-piperidin-4-ylmethanesulfonamide

C12H20N2O2S2 — CID 62056399

IUPACN-[(5-methylthiophen-2-yl)methyl]-1-piperidin-4-ylmethanesulfonamide
SMILESCc1ccc(CNS(=O)(=O)CC2CCNCC2)s1
InChIInChI=1S/C12H20N2O2S2/c1-10-2-3-12(17-10)8-14-18(15,16)9-11-4-6-13-7-5-11/h2-3,11,13-14H,4-9H2,1H3
InChIKeyOQVKWYUATQWHTQ-UHFFFAOYSA-N
MW288.44 g/mol
LogP1.48
Rot. Bonds5

About N-[(5-methylthiophen-2-yl)methyl]-1-piperidin-4-ylmethanesulfonamide

N-[(5-methylthiophen-2-yl)methyl]-1-piperidin-4-ylmethanesulfonamide (PubChem CID 62056399) has the molecular formula C12H20N2O2S2 and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[(5-methylthiophen-2-yl)methyl]-1-piperidin-4-ylmethanesulfonamide.

Molecular Properties

Compound NameN-[(5-methylthiophen-2-yl)methyl]-1-piperidin-4-ylmethanesulfonamide
PubChem CID62056399
Molecular FormulaC12H20N2O2S2
Molecular Weight288.44 g/mol
Exact Mass288.10
IUPAC NameN-[(5-methylthiophen-2-yl)methyl]-1-piperidin-4-ylmethanesulfonamide
SMILESCc1ccc(CNS(=O)(=O)CC2CCNCC2)s1
InChIInChI=1S/C12H20N2O2S2/c1-10-2-3-12(17-10)8-14-18(15,16)9-11-4-6-13-7-5-11/h2-3,11,13-14H,4-9H2,1H3
InChIKeyOQVKWYUATQWHTQ-UHFFFAOYSA-N
XLogP1.48
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-1-piperidin-4-ylmethanesulfonamide?
The IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-1-piperidin-4-ylmethanesulfonamide (CID 62056399) is N-[(5-methylthiophen-2-yl)methyl]-1-piperidin-4-ylmethanesulfonamide.
What is the SMILES notation for N-[(5-methylthiophen-2-yl)methyl]-1-piperidin-4-ylmethanesulfonamide?
The canonical SMILES for N-[(5-methylthiophen-2-yl)methyl]-1-piperidin-4-ylmethanesulfonamide is Cc1ccc(CNS(=O)(=O)CC2CCNCC2)s1.
What is the InChIKey of N-[(5-methylthiophen-2-yl)methyl]-1-piperidin-4-ylmethanesulfonamide?
The InChIKey is OQVKWYUATQWHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S2/c1-10-2-3-12(17-10)8-14-18(15,16)9-11-4-6-13-7-5-11/h2-3,11,13-14H,4-9H2,1H3.
What are the key properties of N-[(5-methylthiophen-2-yl)methyl]-1-piperidin-4-ylmethanesulfonamide?
N-[(5-methylthiophen-2-yl)methyl]-1-piperidin-4-ylmethanesulfonamide has a molecular weight of 288.44 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylthiophen-2-yl)methyl]-1-piperidin-4-ylmethanesulfonamide is sourced from PubChem (CID 62056399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).