N-[[1-[(4-ethylphenyl)methylsulfonyl]piperidin-2-yl]methyl]methanesulfonamide

C16H26N2O4S2 — CID 136532112

IUPACN-[[1-[(4-ethylphenyl)methylsulfonyl]piperidin-2-yl]methyl]methanesulfonamide
SMILESCCc1ccc(CS(=O)(=O)N2CCCCC2CNS(C)(=O)=O)cc1
InChIInChI=1S/C16H26N2O4S2/c1-3-14-7-9-15(10-8-14)13-24(21,22)18-11-5-4-6-16(18)12-17-23(2,19)20/h7-10,16-17H,3-6,11-13H2,1-2H3
InChIKeyMJHGHCZTGVVWCT-UHFFFAOYSA-N
MW374.53 g/mol
LogP1.48
Rot. Bonds7

About N-[[1-[(4-ethylphenyl)methylsulfonyl]piperidin-2-yl]methyl]methanesulfonamide

N-[[1-[(4-ethylphenyl)methylsulfonyl]piperidin-2-yl]methyl]methanesulfonamide (PubChem CID 136532112) has the molecular formula C16H26N2O4S2 and a molecular weight of 374.53 g/mol. Its IUPAC name is N-[[1-[(4-ethylphenyl)methylsulfonyl]piperidin-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-[(4-ethylphenyl)methylsulfonyl]piperidin-2-yl]methyl]methanesulfonamide
PubChem CID136532112
Molecular FormulaC16H26N2O4S2
Molecular Weight374.53 g/mol
Exact Mass374.13
IUPAC NameN-[[1-[(4-ethylphenyl)methylsulfonyl]piperidin-2-yl]methyl]methanesulfonamide
SMILESCCc1ccc(CS(=O)(=O)N2CCCCC2CNS(C)(=O)=O)cc1
InChIInChI=1S/C16H26N2O4S2/c1-3-14-7-9-15(10-8-14)13-24(21,22)18-11-5-4-6-16(18)12-17-23(2,19)20/h7-10,16-17H,3-6,11-13H2,1-2H3
InChIKeyMJHGHCZTGVVWCT-UHFFFAOYSA-N
XLogP1.48
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[1-[(4-ethylphenyl)methylsulfonyl]piperidin-2-yl]methyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-benzylsulfonylpyrrolidin-2-yl)-N-methylmethanamine;hydrochloride
CID 119991099
2-ethyl-1-[(4-nitrophenyl)methylsulfonyl]piperidine
CID 75872721
[1-[[4-(aminomethyl)phenyl]methylsulfonyl]piperidin-2-yl]methanol
CID 43579017
[4-[(2-ethylpyrrolidin-1-yl)sulfonylmethyl]phenyl]methanamine
CID 54885835
1-(4-methylphenyl)-N-[(1-methylsulfonylpyrrolidin-2-yl)methyl]methanesulfonamide
CID 110750308
N-[[1-(5-ethylfuran-2-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
CID 51079365
3-amino-N-[[1-[(4-fluorophenyl)methylsulfonyl]piperidin-2-yl]methyl]propanamide
CID 120584541
[(2S)-1-(pyridin-4-ylmethylsulfonyl)piperidin-2-yl]methanamine
CID 97165454
4-[[1-[(4-fluorophenyl)methylsulfonyl]piperidin-2-yl]methyl]morpholine
CID 70758711
4-[[2-(hydroxymethyl)piperidin-1-yl]sulfonylmethyl]benzenecarbothioamide
CID 61407453
1-(1-benzylsulfonylazepan-2-yl)propan-2-ol
CID 79540960
1-(1-benzylsulfonylazepan-2-yl)propan-2-one
CID 79541444

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-ethylphenyl)methylsulfonyl]piperidin-2-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-[(4-ethylphenyl)methylsulfonyl]piperidin-2-yl]methyl]methanesulfonamide (CID 136532112) is N-[[1-[(4-ethylphenyl)methylsulfonyl]piperidin-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-[(4-ethylphenyl)methylsulfonyl]piperidin-2-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-[(4-ethylphenyl)methylsulfonyl]piperidin-2-yl]methyl]methanesulfonamide is CCc1ccc(CS(=O)(=O)N2CCCCC2CNS(C)(=O)=O)cc1.
What is the InChIKey of N-[[1-[(4-ethylphenyl)methylsulfonyl]piperidin-2-yl]methyl]methanesulfonamide?
The InChIKey is MJHGHCZTGVVWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4S2/c1-3-14-7-9-15(10-8-14)13-24(21,22)18-11-5-4-6-16(18)12-17-23(2,19)20/h7-10,16-17H,3-6,11-13H2,1-2H3.
What are the key properties of N-[[1-[(4-ethylphenyl)methylsulfonyl]piperidin-2-yl]methyl]methanesulfonamide?
N-[[1-[(4-ethylphenyl)methylsulfonyl]piperidin-2-yl]methyl]methanesulfonamide has a molecular weight of 374.53 g/mol, XLogP of 1.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-ethylphenyl)methylsulfonyl]piperidin-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 136532112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).