N-(1-methylsulfonylpropan-2-yl)-1-pyrrolidin-2-ylmethanesulfonamide

C9H20N2O4S2 — CID 64641695

IUPACN-(1-methylsulfonylpropan-2-yl)-1-pyrrolidin-2-ylmethanesulfonamide
SMILESCC(CS(C)(=O)=O)NS(=O)(=O)CC1CCCN1
InChIInChI=1S/C9H20N2O4S2/c1-8(6-16(2,12)13)11-17(14,15)7-9-4-3-5-10-9/h8-11H,3-7H2,1-2H3
InChIKeyTVMAMNXSUAYUEM-UHFFFAOYSA-N
MW284.40 g/mol
LogP-0.91
Rot. Bonds6

About N-(1-methylsulfonylpropan-2-yl)-1-pyrrolidin-2-ylmethanesulfonamide

N-(1-methylsulfonylpropan-2-yl)-1-pyrrolidin-2-ylmethanesulfonamide (PubChem CID 64641695) has the molecular formula C9H20N2O4S2 and a molecular weight of 284.40 g/mol. Its IUPAC name is N-(1-methylsulfonylpropan-2-yl)-1-pyrrolidin-2-ylmethanesulfonamide.

Molecular Properties

Compound NameN-(1-methylsulfonylpropan-2-yl)-1-pyrrolidin-2-ylmethanesulfonamide
PubChem CID64641695
Molecular FormulaC9H20N2O4S2
Molecular Weight284.40 g/mol
Exact Mass284.09
IUPAC NameN-(1-methylsulfonylpropan-2-yl)-1-pyrrolidin-2-ylmethanesulfonamide
SMILESCC(CS(C)(=O)=O)NS(=O)(=O)CC1CCCN1
InChIInChI=1S/C9H20N2O4S2/c1-8(6-16(2,12)13)11-17(14,15)7-9-4-3-5-10-9/h8-11H,3-7H2,1-2H3
InChIKeyTVMAMNXSUAYUEM-UHFFFAOYSA-N
XLogP-0.91
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-methylsulfonylpropan-2-yl)-1-piperidin-3-ylmethanesulfonamide
CID 64641694
N-(3,3-dimethylbutan-2-yl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 104828885
N-methyl-1-[(2S)-pyrrolidin-2-yl]methanesulfonamide
CID 94233927
(2R)-2-(methylsulfonylmethyl)pyrrolidine;hydrochloride
CID 155971117
N-(2-methylpentan-3-yl)-1-piperidin-2-ylmethanesulfonamide
CID 54973926
(2S)-2-(2-methylpropylsulfonylmethyl)piperidine
CID 97301330
2-(2-methylpropylsulfonylmethyl)piperidine
CID 71777978
N-(1-methylcyclopentyl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 64688259
1-pyrrolidin-2-yl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]methanesulfonamide
CID 79350234
N-(2-methoxypropyl)-1-piperidin-2-ylmethanesulfonamide
CID 102699220
2-(3-methylbutylsulfonylmethyl)pyrrolidine
CID 115071189
4-ethyl-1-(1-methylsulfonylpropan-2-yl)-1,5-diazocane
CID 64641535

Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfonylpropan-2-yl)-1-pyrrolidin-2-ylmethanesulfonamide?
The IUPAC name of N-(1-methylsulfonylpropan-2-yl)-1-pyrrolidin-2-ylmethanesulfonamide (CID 64641695) is N-(1-methylsulfonylpropan-2-yl)-1-pyrrolidin-2-ylmethanesulfonamide.
What is the SMILES notation for N-(1-methylsulfonylpropan-2-yl)-1-pyrrolidin-2-ylmethanesulfonamide?
The canonical SMILES for N-(1-methylsulfonylpropan-2-yl)-1-pyrrolidin-2-ylmethanesulfonamide is CC(CS(C)(=O)=O)NS(=O)(=O)CC1CCCN1.
What is the InChIKey of N-(1-methylsulfonylpropan-2-yl)-1-pyrrolidin-2-ylmethanesulfonamide?
The InChIKey is TVMAMNXSUAYUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O4S2/c1-8(6-16(2,12)13)11-17(14,15)7-9-4-3-5-10-9/h8-11H,3-7H2,1-2H3.
What are the key properties of N-(1-methylsulfonylpropan-2-yl)-1-pyrrolidin-2-ylmethanesulfonamide?
N-(1-methylsulfonylpropan-2-yl)-1-pyrrolidin-2-ylmethanesulfonamide has a molecular weight of 284.40 g/mol, XLogP of -0.91, 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-pyrrolidin-2-ylmethanesulfonamide is sourced from PubChem (CID 64641695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).