N-ethyl-N-pyridin-4-yl-1-pyrrolidin-2-ylmethanesulfonamide

C12H19N3O2S — CID 106936342

IUPACN-ethyl-N-pyridin-4-yl-1-pyrrolidin-2-ylmethanesulfonamide
SMILESCCN(c1ccncc1)S(=O)(=O)CC1CCCN1
InChIInChI=1S/C12H19N3O2S/c1-2-15(12-5-8-13-9-6-12)18(16,17)10-11-4-3-7-14-11/h5-6,8-9,11,14H,2-4,7,10H2,1H3
InChIKeyNTHRWSVICLJPFN-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.99
Rot. Bonds5

About N-ethyl-N-pyridin-4-yl-1-pyrrolidin-2-ylmethanesulfonamide

N-ethyl-N-pyridin-4-yl-1-pyrrolidin-2-ylmethanesulfonamide (PubChem CID 106936342) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-ethyl-N-pyridin-4-yl-1-pyrrolidin-2-ylmethanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-pyridin-4-yl-1-pyrrolidin-2-ylmethanesulfonamide
PubChem CID106936342
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC NameN-ethyl-N-pyridin-4-yl-1-pyrrolidin-2-ylmethanesulfonamide
SMILESCCN(c1ccncc1)S(=O)(=O)CC1CCCN1
InChIInChI=1S/C12H19N3O2S/c1-2-15(12-5-8-13-9-6-12)18(16,17)10-11-4-3-7-14-11/h5-6,8-9,11,14H,2-4,7,10H2,1H3
InChIKeyNTHRWSVICLJPFN-UHFFFAOYSA-N
XLogP0.99
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyridin-4-amine
CID 83837370
N-ethyl-1-pyrrolidin-2-yl-N-(thiophen-2-ylmethyl)methanesulfonamide
CID 54971999
4-[[(2S)-piperidin-2-yl]methylsulfonylmethyl]pyridine
CID 97165941
N-(pyridin-4-ylmethyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine
CID 102819441
1-[methyl(pyridin-4-yl)amino]-3-[(2R)-pyrrolidin-2-yl]propan-2-one
CID 57134127
N-cycloheptyl-N-methyl-1-pyrrolidin-2-ylmethanesulfonamide
CID 54972486
N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 79377843
2-(pyrrolidin-2-ylmethylsulfonyl)pyrimidine
CID 71645712
N-methyl-N-(pyridin-4-ylmethyl)-1-pyrrolidin-2-ylmethanamine;hydrochloride
CID 71642062
N-cyclopropyl-N-(2-methylpropyl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 55001507
N,N-diethyl-2-pyrrolidin-2-ylethanesulfonamide
CID 115040519
N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-3-amine
CID 10750245

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-pyridin-4-yl-1-pyrrolidin-2-ylmethanesulfonamide?
The IUPAC name of N-ethyl-N-pyridin-4-yl-1-pyrrolidin-2-ylmethanesulfonamide (CID 106936342) is N-ethyl-N-pyridin-4-yl-1-pyrrolidin-2-ylmethanesulfonamide.
What is the SMILES notation for N-ethyl-N-pyridin-4-yl-1-pyrrolidin-2-ylmethanesulfonamide?
The canonical SMILES for N-ethyl-N-pyridin-4-yl-1-pyrrolidin-2-ylmethanesulfonamide is CCN(c1ccncc1)S(=O)(=O)CC1CCCN1.
What is the InChIKey of N-ethyl-N-pyridin-4-yl-1-pyrrolidin-2-ylmethanesulfonamide?
The InChIKey is NTHRWSVICLJPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-2-15(12-5-8-13-9-6-12)18(16,17)10-11-4-3-7-14-11/h5-6,8-9,11,14H,2-4,7,10H2,1H3.
What are the key properties of N-ethyl-N-pyridin-4-yl-1-pyrrolidin-2-ylmethanesulfonamide?
N-ethyl-N-pyridin-4-yl-1-pyrrolidin-2-ylmethanesulfonamide has a molecular weight of 269.37 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-pyridin-4-yl-1-pyrrolidin-2-ylmethanesulfonamide is sourced from PubChem (CID 106936342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).