N-(1-methylsulfonylpropan-2-yl)-1-piperidin-3-ylmethanesulfonamide

C10H22N2O4S2 — CID 64641694

IUPACN-(1-methylsulfonylpropan-2-yl)-1-piperidin-3-ylmethanesulfonamide
SMILESCC(CS(C)(=O)=O)NS(=O)(=O)CC1CCCNC1
InChIInChI=1S/C10H22N2O4S2/c1-9(7-17(2,13)14)12-18(15,16)8-10-4-3-5-11-6-10/h9-12H,3-8H2,1-2H3
InChIKeyAQSUCCDVWGUWDN-UHFFFAOYSA-N
MW298.43 g/mol
LogP-0.66
Rot. Bonds6

About N-(1-methylsulfonylpropan-2-yl)-1-piperidin-3-ylmethanesulfonamide

N-(1-methylsulfonylpropan-2-yl)-1-piperidin-3-ylmethanesulfonamide (PubChem CID 64641694) has the molecular formula C10H22N2O4S2 and a molecular weight of 298.43 g/mol. Its IUPAC name is N-(1-methylsulfonylpropan-2-yl)-1-piperidin-3-ylmethanesulfonamide.

Molecular Properties

Compound NameN-(1-methylsulfonylpropan-2-yl)-1-piperidin-3-ylmethanesulfonamide
PubChem CID64641694
Molecular FormulaC10H22N2O4S2
Molecular Weight298.43 g/mol
Exact Mass298.10
IUPAC NameN-(1-methylsulfonylpropan-2-yl)-1-piperidin-3-ylmethanesulfonamide
SMILESCC(CS(C)(=O)=O)NS(=O)(=O)CC1CCCNC1
InChIInChI=1S/C10H22N2O4S2/c1-9(7-17(2,13)14)12-18(15,16)8-10-4-3-5-11-6-10/h9-12H,3-8H2,1-2H3
InChIKeyAQSUCCDVWGUWDN-UHFFFAOYSA-N
XLogP-0.66
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
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-(1-methylsulfonylpropan-2-yl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 64641695
N-(2-cyclopropylpropan-2-yl)-1-piperidin-3-ylmethanesulfonamide
CID 114111424
N-(cyclohexylmethyl)-1-piperidin-3-ylmethanesulfonamide
CID 54972626
N-(piperidin-3-ylmethylsulfamoyl)propan-2-amine
CID 114807423
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-piperidin-3-ylmethanesulfonamide
CID 106388979
1-cyclohexyl-N-(1-pyrrolidin-3-ylethyl)methanesulfonamide
CID 103976990
(3R)-3-(methylsulfonylmethyl)pyrrolidine
CID 124510073
N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-piperidin-3-ylmethanesulfonamide
CID 54972682
2-methyl-N-(piperidin-3-ylmethyl)butane-1-sulfonamide;hydrochloride
CID 119968659
2-methylsulfonyl-N-(2-piperidin-3-ylethyl)ethanesulfonamide
CID 63245397
3-methyl-N-(piperidin-3-ylmethyl)butane-1-sulfonamide
CID 63855498
1-piperidin-3-yl-N-(1-propan-2-ylpyrazol-4-yl)methanesulfonamide
CID 62902333

Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfonylpropan-2-yl)-1-piperidin-3-ylmethanesulfonamide?
The IUPAC name of N-(1-methylsulfonylpropan-2-yl)-1-piperidin-3-ylmethanesulfonamide (CID 64641694) is N-(1-methylsulfonylpropan-2-yl)-1-piperidin-3-ylmethanesulfonamide.
What is the SMILES notation for N-(1-methylsulfonylpropan-2-yl)-1-piperidin-3-ylmethanesulfonamide?
The canonical SMILES for N-(1-methylsulfonylpropan-2-yl)-1-piperidin-3-ylmethanesulfonamide is CC(CS(C)(=O)=O)NS(=O)(=O)CC1CCCNC1.
What is the InChIKey of N-(1-methylsulfonylpropan-2-yl)-1-piperidin-3-ylmethanesulfonamide?
The InChIKey is AQSUCCDVWGUWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O4S2/c1-9(7-17(2,13)14)12-18(15,16)8-10-4-3-5-11-6-10/h9-12H,3-8H2,1-2H3.
What are the key properties of N-(1-methylsulfonylpropan-2-yl)-1-piperidin-3-ylmethanesulfonamide?
N-(1-methylsulfonylpropan-2-yl)-1-piperidin-3-ylmethanesulfonamide has a molecular weight of 298.43 g/mol, XLogP of -0.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfonylpropan-2-yl)-1-piperidin-3-ylmethanesulfonamide is sourced from PubChem (CID 64641694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).