N-[2-(1-propylsulfonylpiperidin-2-yl)ethyl]methanesulfonamide

C11H24N2O4S2 — CID 64591583

IUPACN-[2-(1-propylsulfonylpiperidin-2-yl)ethyl]methanesulfonamide
SMILESCCCS(=O)(=O)N1CCCCC1CCNS(C)(=O)=O
InChIInChI=1S/C11H24N2O4S2/c1-3-10-19(16,17)13-9-5-4-6-11(13)7-8-12-18(2,14)15/h11-12H,3-10H2,1-2H3
InChIKeyZOHSMCNFLRCKFL-UHFFFAOYSA-N
MW312.46 g/mol
LogP0.52
Rot. Bonds7

About N-[2-(1-propylsulfonylpiperidin-2-yl)ethyl]methanesulfonamide

N-[2-(1-propylsulfonylpiperidin-2-yl)ethyl]methanesulfonamide (PubChem CID 64591583) has the molecular formula C11H24N2O4S2 and a molecular weight of 312.46 g/mol. Its IUPAC name is N-[2-(1-propylsulfonylpiperidin-2-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(1-propylsulfonylpiperidin-2-yl)ethyl]methanesulfonamide
PubChem CID64591583
Molecular FormulaC11H24N2O4S2
Molecular Weight312.46 g/mol
Exact Mass312.12
IUPAC NameN-[2-(1-propylsulfonylpiperidin-2-yl)ethyl]methanesulfonamide
SMILESCCCS(=O)(=O)N1CCCCC1CCNS(C)(=O)=O
InChIInChI=1S/C11H24N2O4S2/c1-3-10-19(16,17)13-9-5-4-6-11(13)7-8-12-18(2,14)15/h11-12H,3-10H2,1-2H3
InChIKeyZOHSMCNFLRCKFL-UHFFFAOYSA-N
XLogP0.52
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-propylsulfonylpiperidin-2-yl)methanol
CID 43574448
(1-propylsulfonylpyrrolidin-2-yl)methanol
CID 61408748
2-(2-propylpiperidin-1-yl)sulfonylethanamine
CID 83053375
2-(bromomethyl)-1-propylsulfonylpyrrolidine
CID 74554979
2-(3-chloropropyl)-1-propylsulfonylpyrrolidine
CID 63400983
3-(1-propylsulfonylpyrrolidin-2-yl)propan-1-amine
CID 63765660
2-(1-butylsulfonylpiperidin-2-yl)ethanamine
CID 63767348
N-[2-[1-(2-chloroacetyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 54875968
1-(bromomethylsulfonyl)-2-propylpiperidine
CID 83085891
2-[2-(methylamino)ethyl]-N-propylpiperidine-1-sulfonamide
CID 114810868
N-[2-[2-(1-methylpiperidin-2-yl)ethylamino]ethyl]methanesulfonamide
CID 55066683
N-[2-[1-(2-methylpropanoyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 61215595

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-propylsulfonylpiperidin-2-yl)ethyl]methanesulfonamide?
The IUPAC name of N-[2-(1-propylsulfonylpiperidin-2-yl)ethyl]methanesulfonamide (CID 64591583) is N-[2-(1-propylsulfonylpiperidin-2-yl)ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(1-propylsulfonylpiperidin-2-yl)ethyl]methanesulfonamide?
The canonical SMILES for N-[2-(1-propylsulfonylpiperidin-2-yl)ethyl]methanesulfonamide is CCCS(=O)(=O)N1CCCCC1CCNS(C)(=O)=O.
What is the InChIKey of N-[2-(1-propylsulfonylpiperidin-2-yl)ethyl]methanesulfonamide?
The InChIKey is ZOHSMCNFLRCKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O4S2/c1-3-10-19(16,17)13-9-5-4-6-11(13)7-8-12-18(2,14)15/h11-12H,3-10H2,1-2H3.
What are the key properties of N-[2-(1-propylsulfonylpiperidin-2-yl)ethyl]methanesulfonamide?
N-[2-(1-propylsulfonylpiperidin-2-yl)ethyl]methanesulfonamide has a molecular weight of 312.46 g/mol, XLogP of 0.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-propylsulfonylpiperidin-2-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 64591583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).