N-(2-pyrrolidin-1-ylsulfonylethyl)methanesulfonamide

C7H16N2O4S2 — CID 110345398

IUPACN-(2-pyrrolidin-1-ylsulfonylethyl)methanesulfonamide
SMILESCS(=O)(=O)NCCS(=O)(=O)N1CCCC1
InChIInChI=1S/C7H16N2O4S2/c1-14(10,11)8-4-7-15(12,13)9-5-2-3-6-9/h8H,2-7H2,1H3
InChIKeyNJJRDQIZGJNIRY-UHFFFAOYSA-N
MW256.35 g/mol
LogP-1.04
Rot. Bonds5

About N-(2-pyrrolidin-1-ylsulfonylethyl)methanesulfonamide

N-(2-pyrrolidin-1-ylsulfonylethyl)methanesulfonamide (PubChem CID 110345398) has the molecular formula C7H16N2O4S2 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-(2-pyrrolidin-1-ylsulfonylethyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-pyrrolidin-1-ylsulfonylethyl)methanesulfonamide
PubChem CID110345398
Molecular FormulaC7H16N2O4S2
Molecular Weight256.35 g/mol
Exact Mass256.06
IUPAC NameN-(2-pyrrolidin-1-ylsulfonylethyl)methanesulfonamide
SMILESCS(=O)(=O)NCCS(=O)(=O)N1CCCC1
InChIInChI=1S/C7H16N2O4S2/c1-14(10,11)8-4-7-15(12,13)9-5-2-3-6-9/h8H,2-7H2,1H3
InChIKeyNJJRDQIZGJNIRY-UHFFFAOYSA-N
XLogP-1.04
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 5-1.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 110626645
N-[2-(azepan-1-ylsulfonyl)ethyl]propanamide
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1-(2-methylsulfonylethylsulfonyl)azepane
CID 64592112
2,2-dimethyl-N-(2-pyrrolidin-1-ylsulfonylethyl)propanamide
CID 110345330
2,5-dimethyl-N-(2-piperidin-1-ylsulfonylethyl)benzenesulfonamide
CID 110287592
1-(6-piperidin-1-ylsulfonylhexylsulfonyl)piperidine
CID 4599987
1,4-bis(propylsulfonyl)-1,4-diazepane
CID 52744132
2-(azepan-1-ylsulfonyl)ethanamine
CID 22692377
1-(3-methylbutylsulfonyl)piperidine
CID 58689013
2-[[8,15-bis(2-trimethylsilylethylsulfonyl)-1,8,15-triazacyclohenicos-1-yl]sulfonyl]ethyl-trimethylsilane
CID 101272185
N-[2-(azepan-1-ylsulfonyl)ethyl]cyclohexanecarboxamide
CID 110345998
N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide
CID 47028347

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-1-ylsulfonylethyl)methanesulfonamide?
The IUPAC name of N-(2-pyrrolidin-1-ylsulfonylethyl)methanesulfonamide (CID 110345398) is N-(2-pyrrolidin-1-ylsulfonylethyl)methanesulfonamide.
What is the SMILES notation for N-(2-pyrrolidin-1-ylsulfonylethyl)methanesulfonamide?
The canonical SMILES for N-(2-pyrrolidin-1-ylsulfonylethyl)methanesulfonamide is CS(=O)(=O)NCCS(=O)(=O)N1CCCC1.
What is the InChIKey of N-(2-pyrrolidin-1-ylsulfonylethyl)methanesulfonamide?
The InChIKey is NJJRDQIZGJNIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O4S2/c1-14(10,11)8-4-7-15(12,13)9-5-2-3-6-9/h8H,2-7H2,1H3.
What are the key properties of N-(2-pyrrolidin-1-ylsulfonylethyl)methanesulfonamide?
N-(2-pyrrolidin-1-ylsulfonylethyl)methanesulfonamide has a molecular weight of 256.35 g/mol, XLogP of -1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-1-ylsulfonylethyl)methanesulfonamide is sourced from PubChem (CID 110345398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).