N-methyl-N-(oxan-4-yl)-1-pyrrolidin-2-ylmethanesulfonamide

C11H22N2O3S — CID 54972383

IUPACN-methyl-N-(oxan-4-yl)-1-pyrrolidin-2-ylmethanesulfonamide
SMILESCN(C1CCOCC1)S(=O)(=O)CC1CCCN1
InChIInChI=1S/C11H22N2O3S/c1-13(11-4-7-16-8-5-11)17(14,15)9-10-3-2-6-12-10/h10-12H,2-9H2,1H3
InChIKeyUFCZOAFUGGKNKT-UHFFFAOYSA-N
MW262.37 g/mol
LogP0.18
Rot. Bonds4

About N-methyl-N-(oxan-4-yl)-1-pyrrolidin-2-ylmethanesulfonamide

N-methyl-N-(oxan-4-yl)-1-pyrrolidin-2-ylmethanesulfonamide (PubChem CID 54972383) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is N-methyl-N-(oxan-4-yl)-1-pyrrolidin-2-ylmethanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-(oxan-4-yl)-1-pyrrolidin-2-ylmethanesulfonamide
PubChem CID54972383
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC NameN-methyl-N-(oxan-4-yl)-1-pyrrolidin-2-ylmethanesulfonamide
SMILESCN(C1CCOCC1)S(=O)(=O)CC1CCCN1
InChIInChI=1S/C11H22N2O3S/c1-13(11-4-7-16-8-5-11)17(14,15)9-10-3-2-6-12-10/h10-12H,2-9H2,1H3
InChIKeyUFCZOAFUGGKNKT-UHFFFAOYSA-N
XLogP0.18
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-{(3S,4R)-4-[(dimethylamino)methyl]-1-tetrahydro-2H-pyran-4-yltetrahydro-1H-pyrrol-3-yl}-1-ethanesulfonamide
CID 91923054
N-[2-[oxan-4-yl(propan-2-yl)amino]ethyl]ethanesulfonamide
CID 72003186
1-(Oxolan-2-ylmethylsulfonyl)piperidin-4-amine
CID 63246231
(1S)-1-methoxy-N,N-dimethyl-1-[(2S)-pyrrolidin-2-yl]methanesulfonamide
CID 123302269
N-(3-ethoxypropyl)piperidine-3-sulfonamide
CID 24711512
1-ethylsulfonyl-N-(oxolan-3-ylmethyl)piperidin-4-amine
CID 43208067
1-ethylsulfonyl-N-(oxan-4-yl)piperidin-4-amine
CID 43608586
2-(Oxan-4-ylamino)ethanesulfonamide
CID 43608649
N-(oxan-4-yl)piperidine-3-sulfonamide
CID 43610285
2-amino-N-methyl-N-(oxan-4-yl)ethanesulfonamide
CID 43610995
N-methyl-N-(oxan-4-yl)piperidine-3-sulfonamide
CID 43611264
N-(oxan-4-yl)-1-propylsulfonylpiperidin-4-amine
CID 43747936

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxan-4-yl)-1-pyrrolidin-2-ylmethanesulfonamide?
The IUPAC name of N-methyl-N-(oxan-4-yl)-1-pyrrolidin-2-ylmethanesulfonamide (CID 54972383) is N-methyl-N-(oxan-4-yl)-1-pyrrolidin-2-ylmethanesulfonamide.
What is the SMILES notation for N-methyl-N-(oxan-4-yl)-1-pyrrolidin-2-ylmethanesulfonamide?
The canonical SMILES for N-methyl-N-(oxan-4-yl)-1-pyrrolidin-2-ylmethanesulfonamide is CN(C1CCOCC1)S(=O)(=O)CC1CCCN1.
What is the InChIKey of N-methyl-N-(oxan-4-yl)-1-pyrrolidin-2-ylmethanesulfonamide?
The InChIKey is UFCZOAFUGGKNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-13(11-4-7-16-8-5-11)17(14,15)9-10-3-2-6-12-10/h10-12H,2-9H2,1H3.
What are the key properties of N-methyl-N-(oxan-4-yl)-1-pyrrolidin-2-ylmethanesulfonamide?
N-methyl-N-(oxan-4-yl)-1-pyrrolidin-2-ylmethanesulfonamide has a molecular weight of 262.37 g/mol, XLogP of 0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxan-4-yl)-1-pyrrolidin-2-ylmethanesulfonamide is sourced from PubChem (CID 54972383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).