1-methylsulfonyl-N-(1-piperidin-4-ylethyl)methanesulfonamide

C9H20N2O4S2 — CID 82842428

IUPAC1-methylsulfonyl-N-(1-piperidin-4-ylethyl)methanesulfonamide
SMILESCC(NS(=O)(=O)CS(C)(=O)=O)C1CCNCC1
InChIInChI=1S/C9H20N2O4S2/c1-8(9-3-5-10-6-4-9)11-17(14,15)7-16(2,12)13/h8-11H,3-7H2,1-2H3
InChIKeyJOSCKAPLWFLPGP-UHFFFAOYSA-N
MW284.40 g/mol
LogP-0.70
Rot. Bonds5

About 1-methylsulfonyl-N-(1-piperidin-4-ylethyl)methanesulfonamide

1-methylsulfonyl-N-(1-piperidin-4-ylethyl)methanesulfonamide (PubChem CID 82842428) has the molecular formula C9H20N2O4S2 and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-methylsulfonyl-N-(1-piperidin-4-ylethyl)methanesulfonamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-(1-piperidin-4-ylethyl)methanesulfonamide
PubChem CID82842428
Molecular FormulaC9H20N2O4S2
Molecular Weight284.40 g/mol
Exact Mass284.09
IUPAC Name1-methylsulfonyl-N-(1-piperidin-4-ylethyl)methanesulfonamide
SMILESCC(NS(=O)(=O)CS(C)(=O)=O)C1CCNCC1
InChIInChI=1S/C9H20N2O4S2/c1-8(9-3-5-10-6-4-9)11-17(14,15)7-16(2,12)13/h8-11H,3-7H2,1-2H3
InChIKeyJOSCKAPLWFLPGP-UHFFFAOYSA-N
XLogP-0.70
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-(1-piperidin-4-ylethyl)propane-2-sulfonamide
CID 63688048
N-(1-pyrrolidin-3-ylethyl)butane-1-sulfonamide
CID 103976958
1-cyclohexyl-N-(1-pyrrolidin-3-ylethyl)methanesulfonamide
CID 103976990
1-chloro-N-(1-cyclopropylethyl)methanesulfonamide
CID 63663866
N-[(1R)-1-cyclopropylethyl]butane-1-sulfonamide
CID 95761810
1-methylsulfonyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylmethanesulfonamide
CID 82842964
N-(1-piperidin-4-ylethyl)acetamide
CID 43523156
1-methyl-N-(1-piperidin-4-ylethyl)imidazole-4-sulfonamide
CID 62373780
3-piperidin-4-yl-N-[2-(propan-2-ylsulfamoyl)ethyl]butanamide
CID 119758906
N-(1-cyclohexylethyl)piperazine-1-sulfonamide
CID 62407590
N-(1-piperidin-3-ylethyl)butane-1-sulfonamide
CID 43523463
N-(4-methylsulfonylbutan-2-yl)-3-piperidin-4-ylbutanamide
CID 119812275

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-(1-piperidin-4-ylethyl)methanesulfonamide?
The IUPAC name of 1-methylsulfonyl-N-(1-piperidin-4-ylethyl)methanesulfonamide (CID 82842428) is 1-methylsulfonyl-N-(1-piperidin-4-ylethyl)methanesulfonamide.
What is the SMILES notation for 1-methylsulfonyl-N-(1-piperidin-4-ylethyl)methanesulfonamide?
The canonical SMILES for 1-methylsulfonyl-N-(1-piperidin-4-ylethyl)methanesulfonamide is CC(NS(=O)(=O)CS(C)(=O)=O)C1CCNCC1.
What is the InChIKey of 1-methylsulfonyl-N-(1-piperidin-4-ylethyl)methanesulfonamide?
The InChIKey is JOSCKAPLWFLPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O4S2/c1-8(9-3-5-10-6-4-9)11-17(14,15)7-16(2,12)13/h8-11H,3-7H2,1-2H3.
What are the key properties of 1-methylsulfonyl-N-(1-piperidin-4-ylethyl)methanesulfonamide?
1-methylsulfonyl-N-(1-piperidin-4-ylethyl)methanesulfonamide has a molecular weight of 284.40 g/mol, XLogP of -0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-(1-piperidin-4-ylethyl)methanesulfonamide is sourced from PubChem (CID 82842428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).