N-[2-[1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidin-2-yl]ethyl]methanesulfonamide

C16H26N2O3S2 — CID 87047179

IUPACN-[2-[1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidin-2-yl]ethyl]methanesulfonamide
SMILESCCc1cc(C(=O)N2CCCCC2CCNS(C)(=O)=O)sc1C
InChIInChI=1S/C16H26N2O3S2/c1-4-13-11-15(22-12(13)2)16(19)18-10-6-5-7-14(18)8-9-17-23(3,20)21/h11,14,17H,4-10H2,1-3H3
InChIKeyRIMRDUQVZRONII-UHFFFAOYSA-N
MW358.53 g/mol
LogP2.55
Rot. Bonds6

About N-[2-[1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidin-2-yl]ethyl]methanesulfonamide

N-[2-[1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidin-2-yl]ethyl]methanesulfonamide (PubChem CID 87047179) has the molecular formula C16H26N2O3S2 and a molecular weight of 358.53 g/mol. Its IUPAC name is N-[2-[1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidin-2-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidin-2-yl]ethyl]methanesulfonamide
PubChem CID87047179
Molecular FormulaC16H26N2O3S2
Molecular Weight358.53 g/mol
Exact Mass358.14
IUPAC NameN-[2-[1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidin-2-yl]ethyl]methanesulfonamide
SMILESCCc1cc(C(=O)N2CCCCC2CCNS(C)(=O)=O)sc1C
InChIInChI=1S/C16H26N2O3S2/c1-4-13-11-15(22-12(13)2)16(19)18-10-6-5-7-14(18)8-9-17-23(3,20)21/h11,14,17H,4-10H2,1-3H3
InChIKeyRIMRDUQVZRONII-UHFFFAOYSA-N
XLogP2.55
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidin-2-yl]acetic acid
CID 61009393
N-[2-[1-(2-methylpropanoyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 61215595
N-[2-[1-(5-amino-2-methylbenzoyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 120622886
N-[2-[(2R)-1-(2-methylfuran-3-carbonyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 94031800
N-[2-[(2R)-1-[2-(methylamino)pyrimidine-5-carbonyl]piperidin-2-yl]ethyl]methanesulfonamide
CID 92632029
methyl 1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidine-2-carboxylate
CID 51112610
N-[2-[1-(2-chloroacetyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 54875968
N-[2-[1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]ethyl]methanesulfonamide;hydrochloride
CID 119727540
N-[2-[(2S)-1-(1H-pyrazole-5-carbonyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 92634332
N-[2-[1-(2-methoxyacetyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 61215593
azepan-1-yl-(4-ethyl-5-methylthiophen-2-yl)methanone
CID 60634850
tert-butyl 2-[2-(methanesulfonamido)ethyl]piperidine-1-carboxylate
CID 65142558

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidin-2-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidin-2-yl]ethyl]methanesulfonamide (CID 87047179) is N-[2-[1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidin-2-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidin-2-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidin-2-yl]ethyl]methanesulfonamide is CCc1cc(C(=O)N2CCCCC2CCNS(C)(=O)=O)sc1C.
What is the InChIKey of N-[2-[1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidin-2-yl]ethyl]methanesulfonamide?
The InChIKey is RIMRDUQVZRONII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S2/c1-4-13-11-15(22-12(13)2)16(19)18-10-6-5-7-14(18)8-9-17-23(3,20)21/h11,14,17H,4-10H2,1-3H3.
What are the key properties of N-[2-[1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidin-2-yl]ethyl]methanesulfonamide?
N-[2-[1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidin-2-yl]ethyl]methanesulfonamide has a molecular weight of 358.53 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidin-2-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 87047179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).