N-[[1-(2-propylsulfonylacetyl)piperidin-2-yl]methyl]methanesulfonamide

C12H24N2O5S2 — CID 132968697

IUPACN-[[1-(2-propylsulfonylacetyl)piperidin-2-yl]methyl]methanesulfonamide
SMILESCCCS(=O)(=O)CC(=O)N1CCCCC1CNS(C)(=O)=O
InChIInChI=1S/C12H24N2O5S2/c1-3-8-21(18,19)10-12(15)14-7-5-4-6-11(14)9-13-20(2,16)17/h11,13H,3-10H2,1-2H3
InChIKeyIWVGJKLDIOHDQO-UHFFFAOYSA-N
MW340.47 g/mol
LogP-0.26
Rot. Bonds7

About N-[[1-(2-propylsulfonylacetyl)piperidin-2-yl]methyl]methanesulfonamide

N-[[1-(2-propylsulfonylacetyl)piperidin-2-yl]methyl]methanesulfonamide (PubChem CID 132968697) has the molecular formula C12H24N2O5S2 and a molecular weight of 340.47 g/mol. Its IUPAC name is N-[[1-(2-propylsulfonylacetyl)piperidin-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-(2-propylsulfonylacetyl)piperidin-2-yl]methyl]methanesulfonamide
PubChem CID132968697
Molecular FormulaC12H24N2O5S2
Molecular Weight340.47 g/mol
Exact Mass340.11
IUPAC NameN-[[1-(2-propylsulfonylacetyl)piperidin-2-yl]methyl]methanesulfonamide
SMILESCCCS(=O)(=O)CC(=O)N1CCCCC1CNS(C)(=O)=O
InChIInChI=1S/C12H24N2O5S2/c1-3-8-21(18,19)10-12(15)14-7-5-4-6-11(14)9-13-20(2,16)17/h11,13H,3-10H2,1-2H3
InChIKeyIWVGJKLDIOHDQO-UHFFFAOYSA-N
XLogP-0.26
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[1-(2-propylsulfonylacetyl)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

(2R)-N-ethyl-2-(methanesulfonamidomethyl)piperidine-1-carboxamide
CID 95160650
2-[2-[2-(methanesulfonamidomethyl)piperidin-1-yl]-2-oxoethoxy]acetic acid
CID 61329043
N-[[1-(3-aminobutanoyl)piperidin-2-yl]methyl]methanesulfonamide;hydrochloride
CID 119722459
N-[[1-[(2R)-2-aminopentanoyl]piperidin-2-yl]methyl]methanesulfonamide
CID 103795207
N-[[1-(6-aminohexanoyl)piperidin-2-yl]methyl]methanesulfonamide
CID 60944857
N-[[1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidin-2-yl]methyl]methanesulfonamide
CID 78933697
N-[[1-(2-aminocyclohexanecarbonyl)piperidin-2-yl]methyl]methanesulfonamide
CID 64824182
N-[[1-[2-(4-methylphenyl)acetyl]piperidin-2-yl]methyl]methanesulfonamide
CID 43073346
1-(2-propylsulfonylacetyl)pyrrolidine-2-carboxylic acid
CID 119355643
N-[[1-[2-(aminomethyl)-2-ethylbutanoyl]piperidin-2-yl]methyl]methanesulfonamide
CID 115432105
N-[[1-(2-methoxy-2-methylpropanoyl)piperidin-2-yl]methyl]methanesulfonamide
CID 103028802
N-[[1-[2-methyl-3-(methylamino)propanoyl]piperidin-2-yl]methyl]methanesulfonamide
CID 79202830

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-propylsulfonylacetyl)piperidin-2-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-(2-propylsulfonylacetyl)piperidin-2-yl]methyl]methanesulfonamide (CID 132968697) is N-[[1-(2-propylsulfonylacetyl)piperidin-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-(2-propylsulfonylacetyl)piperidin-2-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-(2-propylsulfonylacetyl)piperidin-2-yl]methyl]methanesulfonamide is CCCS(=O)(=O)CC(=O)N1CCCCC1CNS(C)(=O)=O.
What is the InChIKey of N-[[1-(2-propylsulfonylacetyl)piperidin-2-yl]methyl]methanesulfonamide?
The InChIKey is IWVGJKLDIOHDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O5S2/c1-3-8-21(18,19)10-12(15)14-7-5-4-6-11(14)9-13-20(2,16)17/h11,13H,3-10H2,1-2H3.
What are the key properties of N-[[1-(2-propylsulfonylacetyl)piperidin-2-yl]methyl]methanesulfonamide?
N-[[1-(2-propylsulfonylacetyl)piperidin-2-yl]methyl]methanesulfonamide has a molecular weight of 340.47 g/mol, XLogP of -0.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-propylsulfonylacetyl)piperidin-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 132968697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).