2-methylsulfonyl-N-(2-piperidin-3-ylethyl)ethanesulfonamide

C10H22N2O4S2 — CID 63245397

IUPAC2-methylsulfonyl-N-(2-piperidin-3-ylethyl)ethanesulfonamide
SMILESCS(=O)(=O)CCS(=O)(=O)NCCC1CCCNC1
InChIInChI=1S/C10H22N2O4S2/c1-17(13,14)7-8-18(15,16)12-6-4-10-3-2-5-11-9-10/h10-12H,2-9H2,1H3
InChIKeyBBTGMOSFPPCDEB-UHFFFAOYSA-N
MW298.43 g/mol
LogP-0.66
Rot. Bonds7

About 2-methylsulfonyl-N-(2-piperidin-3-ylethyl)ethanesulfonamide

2-methylsulfonyl-N-(2-piperidin-3-ylethyl)ethanesulfonamide (PubChem CID 63245397) has the molecular formula C10H22N2O4S2 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-methylsulfonyl-N-(2-piperidin-3-ylethyl)ethanesulfonamide.

Molecular Properties

Compound Name2-methylsulfonyl-N-(2-piperidin-3-ylethyl)ethanesulfonamide
PubChem CID63245397
Molecular FormulaC10H22N2O4S2
Molecular Weight298.43 g/mol
Exact Mass298.10
IUPAC Name2-methylsulfonyl-N-(2-piperidin-3-ylethyl)ethanesulfonamide
SMILESCS(=O)(=O)CCS(=O)(=O)NCCC1CCCNC1
InChIInChI=1S/C10H22N2O4S2/c1-17(13,14)7-8-18(15,16)12-6-4-10-3-2-5-11-9-10/h10-12H,2-9H2,1H3
InChIKeyBBTGMOSFPPCDEB-UHFFFAOYSA-N
XLogP-0.66
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-piperidin-3-ylethyl)propane-1-sulfonamide
CID 60895183
N-(2-piperidin-3-ylethyl)propane-1-sulfonamide;hydrochloride
CID 119979578
methyl 4-(2-piperidin-3-ylethylsulfamoyl)butanoate
CID 63629231
N-(2-piperidin-3-ylethyl)but-3-ene-1-sulfonamide
CID 119979538
N-(2-pyrrolidin-3-ylethyl)butane-1-sulfonamide
CID 63623248
3,3-dimethyl-N-(2-pyrrolidin-3-ylethyl)butane-1-sulfonamide
CID 103828982
2-methylsulfonyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]ethanesulfonamide;hydrochloride
CID 120723401
methyl 3-(2-pyrrolidin-3-ylethylsulfamoyl)propanoate
CID 55247848
3-[2-(diethylsulfamoylamino)ethyl]piperidine;hydrochloride
CID 119979613
1-(oxolan-3-yl)-N-(2-piperidin-3-ylethyl)methanesulfonamide;hydrochloride
CID 119979197
N-tert-butyl-2-piperidin-3-ylethanesulfonamide
CID 115046359
2-propan-2-yloxy-N-(2-pyrrolidin-3-ylethyl)ethanesulfonamide
CID 79594316

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-N-(2-piperidin-3-ylethyl)ethanesulfonamide?
The IUPAC name of 2-methylsulfonyl-N-(2-piperidin-3-ylethyl)ethanesulfonamide (CID 63245397) is 2-methylsulfonyl-N-(2-piperidin-3-ylethyl)ethanesulfonamide.
What is the SMILES notation for 2-methylsulfonyl-N-(2-piperidin-3-ylethyl)ethanesulfonamide?
The canonical SMILES for 2-methylsulfonyl-N-(2-piperidin-3-ylethyl)ethanesulfonamide is CS(=O)(=O)CCS(=O)(=O)NCCC1CCCNC1.
What is the InChIKey of 2-methylsulfonyl-N-(2-piperidin-3-ylethyl)ethanesulfonamide?
The InChIKey is BBTGMOSFPPCDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O4S2/c1-17(13,14)7-8-18(15,16)12-6-4-10-3-2-5-11-9-10/h10-12H,2-9H2,1H3.
What are the key properties of 2-methylsulfonyl-N-(2-piperidin-3-ylethyl)ethanesulfonamide?
2-methylsulfonyl-N-(2-piperidin-3-ylethyl)ethanesulfonamide has a molecular weight of 298.43 g/mol, XLogP of -0.66, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-N-(2-piperidin-3-ylethyl)ethanesulfonamide is sourced from PubChem (CID 63245397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).