propane;N-pyrrolidin-3-ylmethanesulfonamide

C8H20N2O2S — CID 143474568

IUPACpropane;N-pyrrolidin-3-ylmethanesulfonamide
SMILESCCC.CS(=O)(=O)NC1CCNC1
InChIInChI=1S/C5H12N2O2S.C3H8/c1-10(8,9)7-5-2-3-6-4-5;1-3-2/h5-7H,2-4H2,1H3;3H2,1-2H3
InChIKeyHCODUHNQWHJGLW-UHFFFAOYSA-N
MW208.33 g/mol
LogP0.31
Rot. Bonds2

About propane;N-pyrrolidin-3-ylmethanesulfonamide

propane;N-pyrrolidin-3-ylmethanesulfonamide (PubChem CID 143474568) has the molecular formula C8H20N2O2S and a molecular weight of 208.33 g/mol. Its IUPAC name is propane;N-pyrrolidin-3-ylmethanesulfonamide.

Molecular Properties

Compound Namepropane;N-pyrrolidin-3-ylmethanesulfonamide
PubChem CID143474568
Molecular FormulaC8H20N2O2S
Molecular Weight208.33 g/mol
Exact Mass208.12
IUPAC Namepropane;N-pyrrolidin-3-ylmethanesulfonamide
SMILESCCC.CS(=O)(=O)NC1CCNC1
InChIInChI=1S/C5H12N2O2S.C3H8/c1-10(8,9)7-5-2-3-6-4-5;1-3-2/h5-7H,2-4H2,1H3;3H2,1-2H3
InChIKeyHCODUHNQWHJGLW-UHFFFAOYSA-N
XLogP0.31
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R)-pyrrolidin-3-yl]ethanesulfonamide
CID 79684935
N-pyrrolidin-3-ylpropane-1-sulfonamide;hydrochloride
CID 50988223
(3R)-3-(dimethylsulfamoylamino)pyrrolidine
CID 79685211
3,3-dimethyl-N-pyrrolidin-3-ylbutane-1-sulfonamide
CID 103828888
1,1-difluoro-N-[(3R)-pyrrolidin-3-yl]methanesulfonamide
CID 79685509
N-[(3S)-piperidin-3-yl]ethanesulfonamide;hydrochloride
CID 53256488
methyl 3-[[(3S)-pyrrolidin-3-yl]sulfamoyl]propanoate
CID 79684956
N-(3-methylsulfonylpropyl)pyrrolidin-3-amine
CID 79747715
N-(azepan-3-yl)-1-methylsulfonylmethanesulfonamide
CID 82842865
(3R)-N-(2,2,2-trifluoroethylsulfamoyl)pyrrolidin-3-amine
CID 104978131
3,5-dimethyl-N-[(3S)-pyrrolidin-3-yl]piperidine-1-sulfonamide
CID 79685910
4-butan-2-yl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 55068886

Frequently Asked Questions

What is the IUPAC name of propane;N-pyrrolidin-3-ylmethanesulfonamide?
The IUPAC name of propane;N-pyrrolidin-3-ylmethanesulfonamide (CID 143474568) is propane;N-pyrrolidin-3-ylmethanesulfonamide.
What is the SMILES notation for propane;N-pyrrolidin-3-ylmethanesulfonamide?
The canonical SMILES for propane;N-pyrrolidin-3-ylmethanesulfonamide is CCC.CS(=O)(=O)NC1CCNC1.
What is the InChIKey of propane;N-pyrrolidin-3-ylmethanesulfonamide?
The InChIKey is HCODUHNQWHJGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2S.C3H8/c1-10(8,9)7-5-2-3-6-4-5;1-3-2/h5-7H,2-4H2,1H3;3H2,1-2H3.
What are the key properties of propane;N-pyrrolidin-3-ylmethanesulfonamide?
propane;N-pyrrolidin-3-ylmethanesulfonamide has a molecular weight of 208.33 g/mol, XLogP of 0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propane;N-pyrrolidin-3-ylmethanesulfonamide is sourced from PubChem (CID 143474568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).