N-cycloheptyl-N-methyl-1-pyrrolidin-2-ylmethanesulfonamide

C13H26N2O2S — CID 54972486

IUPACN-cycloheptyl-N-methyl-1-pyrrolidin-2-ylmethanesulfonamide
SMILESCN(C1CCCCCC1)S(=O)(=O)CC1CCCN1
InChIInChI=1S/C13H26N2O2S/c1-15(13-8-4-2-3-5-9-13)18(16,17)11-12-7-6-10-14-12/h12-14H,2-11H2,1H3
InChIKeyFIDWULYHRKVZKW-UHFFFAOYSA-N
MW274.43 g/mol
LogP1.72
Rot. Bonds4

About N-cycloheptyl-N-methyl-1-pyrrolidin-2-ylmethanesulfonamide

N-cycloheptyl-N-methyl-1-pyrrolidin-2-ylmethanesulfonamide (PubChem CID 54972486) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N-cycloheptyl-N-methyl-1-pyrrolidin-2-ylmethanesulfonamide.

Molecular Properties

Compound NameN-cycloheptyl-N-methyl-1-pyrrolidin-2-ylmethanesulfonamide
PubChem CID54972486
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC NameN-cycloheptyl-N-methyl-1-pyrrolidin-2-ylmethanesulfonamide
SMILESCN(C1CCCCCC1)S(=O)(=O)CC1CCCN1
InChIInChI=1S/C13H26N2O2S/c1-15(13-8-4-2-3-5-9-13)18(16,17)11-12-7-6-10-14-12/h12-14H,2-11H2,1H3
InChIKeyFIDWULYHRKVZKW-UHFFFAOYSA-N
XLogP1.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclobutylmethyl)-N-methyl-1-piperidin-2-ylmethanesulfonamide
CID 55125771
N-[2-(dimethylamino)ethyl]-N-methyl-1-piperidin-2-ylmethanesulfonamide
CID 55227545
N-methyl-N-(2-methylsulfanylethyl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 112661633
N-cyclopropyl-N-(2-methylpropyl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 55001507
(2R)-2-(methylsulfonylmethyl)pyrrolidine;hydrochloride
CID 155971117
1-bromo-N-cycloheptyl-N-methylmethanesulfonamide
CID 83092714
N-cyclohexyl-N-methylpropane-1-sulfonamide
CID 60643282
N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1-piperidin-2-ylmethanesulfonamide
CID 105419208
N,N-bis(3-methylbutyl)-1-piperidin-2-ylmethanesulfonamide
CID 107870369
N-cycloheptyl-N-methyl-2-pyrrolidin-2-ylacetamide
CID 61370216
N-methyl-1-piperidin-2-yl-N-(2-propan-2-yloxyethyl)methanesulfonamide
CID 81057169
N-methyl-1-[(2S)-pyrrolidin-2-yl]methanesulfonamide
CID 94233927

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-N-methyl-1-pyrrolidin-2-ylmethanesulfonamide?
The IUPAC name of N-cycloheptyl-N-methyl-1-pyrrolidin-2-ylmethanesulfonamide (CID 54972486) is N-cycloheptyl-N-methyl-1-pyrrolidin-2-ylmethanesulfonamide.
What is the SMILES notation for N-cycloheptyl-N-methyl-1-pyrrolidin-2-ylmethanesulfonamide?
The canonical SMILES for N-cycloheptyl-N-methyl-1-pyrrolidin-2-ylmethanesulfonamide is CN(C1CCCCCC1)S(=O)(=O)CC1CCCN1.
What is the InChIKey of N-cycloheptyl-N-methyl-1-pyrrolidin-2-ylmethanesulfonamide?
The InChIKey is FIDWULYHRKVZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-15(13-8-4-2-3-5-9-13)18(16,17)11-12-7-6-10-14-12/h12-14H,2-11H2,1H3.
What are the key properties of N-cycloheptyl-N-methyl-1-pyrrolidin-2-ylmethanesulfonamide?
N-cycloheptyl-N-methyl-1-pyrrolidin-2-ylmethanesulfonamide has a molecular weight of 274.43 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-N-methyl-1-pyrrolidin-2-ylmethanesulfonamide is sourced from PubChem (CID 54972486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).