N-[1-[2-(2-methylthiophen-3-yl)acetyl]piperidin-3-yl]methanesulfonamide

C13H20N2O3S2 — CID 154838972

IUPACN-[1-[2-(2-methylthiophen-3-yl)acetyl]piperidin-3-yl]methanesulfonamide
SMILESCc1sccc1CC(=O)N1CCCC(NS(C)(=O)=O)C1
InChIInChI=1S/C13H20N2O3S2/c1-10-11(5-7-19-10)8-13(16)15-6-3-4-12(9-15)14-20(2,17)18/h5,7,12,14H,3-4,6,8-9H2,1-2H3
InChIKeyUPOXGBRUPNIABT-UHFFFAOYSA-N
MW316.45 g/mol
LogP1.14
Rot. Bonds4

About N-[1-[2-(2-methylthiophen-3-yl)acetyl]piperidin-3-yl]methanesulfonamide

N-[1-[2-(2-methylthiophen-3-yl)acetyl]piperidin-3-yl]methanesulfonamide (PubChem CID 154838972) has the molecular formula C13H20N2O3S2 and a molecular weight of 316.45 g/mol. Its IUPAC name is N-[1-[2-(2-methylthiophen-3-yl)acetyl]piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[2-(2-methylthiophen-3-yl)acetyl]piperidin-3-yl]methanesulfonamide
PubChem CID154838972
Molecular FormulaC13H20N2O3S2
Molecular Weight316.45 g/mol
Exact Mass316.09
IUPAC NameN-[1-[2-(2-methylthiophen-3-yl)acetyl]piperidin-3-yl]methanesulfonamide
SMILESCc1sccc1CC(=O)N1CCCC(NS(C)(=O)=O)C1
InChIInChI=1S/C13H20N2O3S2/c1-10-11(5-7-19-10)8-13(16)15-6-3-4-12(9-15)14-20(2,17)18/h5,7,12,14H,3-4,6,8-9H2,1-2H3
InChIKeyUPOXGBRUPNIABT-UHFFFAOYSA-N
XLogP1.14
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-(4-phenylphenyl)acetyl]piperidin-3-yl]methanesulfonamide
CID 47029348
N-[1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]piperidin-3-yl]methanesulfonamide
CID 47035830
4-[3-[(3S)-3-(methanesulfonamido)piperidin-1-yl]-3-oxopropyl]benzoic acid
CID 125151434
N-[(3S)-1-[3-(2-methylphenoxy)propanoyl]piperidin-3-yl]methanesulfonamide
CID 97072958
N-[1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]piperidin-3-yl]methanesulfonamide
CID 55679023
N-[1-(3-aminobutanoyl)piperidin-3-yl]methanesulfonamide
CID 54871310
N-[1-[2-(4-aminophenyl)acetyl]pyrrolidin-3-yl]methanesulfonamide;hydrochloride
CID 119793520
3-(methanesulfonamido)-N-[2-(2-methylphenyl)ethyl]piperidine-1-carboxamide
CID 51083667
N-[1-[2-(1-aminocyclobutyl)acetyl]piperidin-3-yl]methanesulfonamide
CID 79854784
N-[1-(5-methylfuran-2-carbonyl)piperidin-3-yl]methanesulfonamide
CID 47184451
N-[1-(4-aminobenzoyl)piperidin-3-yl]methanesulfonamide
CID 60945770
2-iodo-N-[2-[3-(methanesulfonamido)piperidin-1-yl]-2-oxoethyl]benzamide
CID 55841424

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-methylthiophen-3-yl)acetyl]piperidin-3-yl]methanesulfonamide?
The IUPAC name of N-[1-[2-(2-methylthiophen-3-yl)acetyl]piperidin-3-yl]methanesulfonamide (CID 154838972) is N-[1-[2-(2-methylthiophen-3-yl)acetyl]piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[2-(2-methylthiophen-3-yl)acetyl]piperidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[1-[2-(2-methylthiophen-3-yl)acetyl]piperidin-3-yl]methanesulfonamide is Cc1sccc1CC(=O)N1CCCC(NS(C)(=O)=O)C1.
What is the InChIKey of N-[1-[2-(2-methylthiophen-3-yl)acetyl]piperidin-3-yl]methanesulfonamide?
The InChIKey is UPOXGBRUPNIABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S2/c1-10-11(5-7-19-10)8-13(16)15-6-3-4-12(9-15)14-20(2,17)18/h5,7,12,14H,3-4,6,8-9H2,1-2H3.
What are the key properties of N-[1-[2-(2-methylthiophen-3-yl)acetyl]piperidin-3-yl]methanesulfonamide?
N-[1-[2-(2-methylthiophen-3-yl)acetyl]piperidin-3-yl]methanesulfonamide has a molecular weight of 316.45 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-methylthiophen-3-yl)acetyl]piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 154838972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).