N-[[(3R)-1-(3-methylsulfanylthiophene-2-carbonyl)piperidin-3-yl]methyl]methanesulfonamide

C13H20N2O3S3 — CID 95615382

IUPACN-[[(3R)-1-(3-methylsulfanylthiophene-2-carbonyl)piperidin-3-yl]methyl]methanesulfonamide
SMILESCSc1ccsc1C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1
InChIInChI=1S/C13H20N2O3S3/c1-19-11-5-7-20-12(11)13(16)15-6-3-4-10(9-15)8-14-21(2,17)18/h5,7,10,14H,3-4,6,8-9H2,1-2H3/t10-/m0/s1
InChIKeyFXKLQZKZLGPSLB-JTQLQIEISA-N
MW348.52 g/mol
LogP1.87
Rot. Bonds5

About N-[[(3R)-1-(3-methylsulfanylthiophene-2-carbonyl)piperidin-3-yl]methyl]methanesulfonamide

N-[[(3R)-1-(3-methylsulfanylthiophene-2-carbonyl)piperidin-3-yl]methyl]methanesulfonamide (PubChem CID 95615382) has the molecular formula C13H20N2O3S3 and a molecular weight of 348.52 g/mol. Its IUPAC name is N-[[(3R)-1-(3-methylsulfanylthiophene-2-carbonyl)piperidin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[(3R)-1-(3-methylsulfanylthiophene-2-carbonyl)piperidin-3-yl]methyl]methanesulfonamide
PubChem CID95615382
Molecular FormulaC13H20N2O3S3
Molecular Weight348.52 g/mol
Exact Mass348.06
IUPAC NameN-[[(3R)-1-(3-methylsulfanylthiophene-2-carbonyl)piperidin-3-yl]methyl]methanesulfonamide
SMILESCSc1ccsc1C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1
InChIInChI=1S/C13H20N2O3S3/c1-19-11-5-7-20-12(11)13(16)15-6-3-4-10(9-15)8-14-21(2,17)18/h5,7,10,14H,3-4,6,8-9H2,1-2H3/t10-/m0/s1
InChIKeyFXKLQZKZLGPSLB-JTQLQIEISA-N
XLogP1.87
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.52
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[(3R)-1-(3-methylsulfanylthiophene-2-carbonyl)piperidin-3-yl]methyl]methanesulfonamide with MolForge

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Related Compounds

[3-(methylamino)piperidin-1-yl]-(3-methylsulfanylthiophen-2-yl)methanone;hydrochloride
CID 119488013
[3-(1-aminoethyl)piperidin-1-yl]-(3-methylsulfanylthiophen-2-yl)methanone
CID 119593061
N-[[1-(4-aminobenzoyl)piperidin-3-yl]methyl]methanesulfonamide
CID 60963148
[3-(difluoromethylsulfonyl)thiophen-2-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119395679
N-[[(3S)-1-[(2R)-2-methyl-3-thiophen-2-ylpropanoyl]piperidin-3-yl]methyl]methanesulfonamide
CID 97216650
N-[[1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperidin-3-yl]methyl]methanesulfonamide
CID 66375528
N-[[(3S)-1-(2-bromobenzoyl)piperidin-3-yl]methyl]methanesulfonamide
CID 51889560
N-[[1-(3-methylfuran-2-carbonyl)piperidin-3-yl]methyl]methanesulfonamide
CID 47180844
N-[[1-(1,3-benzodioxole-5-carbonyl)piperidin-3-yl]methyl]methanesulfonamide
CID 51079196
N-[[1-(2-bromofuran-3-carbonyl)piperidin-3-yl]methyl]methanesulfonamide
CID 106853554
[3-(difluoromethoxy)thiophen-2-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119398975
N-[[1-[3,5-bis(trifluoromethyl)benzoyl]piperidin-3-yl]methyl]methanesulfonamide
CID 55666094

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-(3-methylsulfanylthiophene-2-carbonyl)piperidin-3-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[(3R)-1-(3-methylsulfanylthiophene-2-carbonyl)piperidin-3-yl]methyl]methanesulfonamide (CID 95615382) is N-[[(3R)-1-(3-methylsulfanylthiophene-2-carbonyl)piperidin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[(3R)-1-(3-methylsulfanylthiophene-2-carbonyl)piperidin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[(3R)-1-(3-methylsulfanylthiophene-2-carbonyl)piperidin-3-yl]methyl]methanesulfonamide is CSc1ccsc1C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1.
What is the InChIKey of N-[[(3R)-1-(3-methylsulfanylthiophene-2-carbonyl)piperidin-3-yl]methyl]methanesulfonamide?
The InChIKey is FXKLQZKZLGPSLB-JTQLQIEISA-N. The full InChI is InChI=1S/C13H20N2O3S3/c1-19-11-5-7-20-12(11)13(16)15-6-3-4-10(9-15)8-14-21(2,17)18/h5,7,10,14H,3-4,6,8-9H2,1-2H3/t10-/m0/s1.
What are the key properties of N-[[(3R)-1-(3-methylsulfanylthiophene-2-carbonyl)piperidin-3-yl]methyl]methanesulfonamide?
N-[[(3R)-1-(3-methylsulfanylthiophene-2-carbonyl)piperidin-3-yl]methyl]methanesulfonamide has a molecular weight of 348.52 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-(3-methylsulfanylthiophene-2-carbonyl)piperidin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 95615382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).