N-ethyl-1-ethylsulfonyl-N-(pyridin-2-ylmethyl)propan-2-amine

C13H22N2O2S — CID 71931375

IUPACN-ethyl-1-ethylsulfonyl-N-(pyridin-2-ylmethyl)propan-2-amine
SMILESCCN(Cc1ccccn1)C(C)CS(=O)(=O)CC
InChIInChI=1S/C13H22N2O2S/c1-4-15(10-13-8-6-7-9-14-13)12(3)11-18(16,17)5-2/h6-9,12H,4-5,10-11H2,1-3H3
InChIKeyAVPQXPKWNNRKFF-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.73
Rot. Bonds7

About N-ethyl-1-ethylsulfonyl-N-(pyridin-2-ylmethyl)propan-2-amine

N-ethyl-1-ethylsulfonyl-N-(pyridin-2-ylmethyl)propan-2-amine (PubChem CID 71931375) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is N-ethyl-1-ethylsulfonyl-N-(pyridin-2-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-ethylsulfonyl-N-(pyridin-2-ylmethyl)propan-2-amine
PubChem CID71931375
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC NameN-ethyl-1-ethylsulfonyl-N-(pyridin-2-ylmethyl)propan-2-amine
SMILESCCN(Cc1ccccn1)C(C)CS(=O)(=O)CC
InChIInChI=1S/C13H22N2O2S/c1-4-15(10-13-8-6-7-9-14-13)12(3)11-18(16,17)5-2/h6-9,12H,4-5,10-11H2,1-3H3
InChIKeyAVPQXPKWNNRKFF-UHFFFAOYSA-N
XLogP1.73
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethylsulfonyl-N-(pyridin-2-ylmethyl)propan-2-amine
CID 115626100
N-ethyl-2-phenyl-N-(pyridin-2-ylmethyl)propane-1-sulfonamide
CID 71914419
2-[ethyl(pyridin-2-ylmethyl)amino]pentanoic acid
CID 83049481
2-methyl-3-[propan-2-yl(pyridin-2-ylmethyl)amino]propanoic acid
CID 82328653
2-[bis(pyridin-2-ylmethyl)amino]propanoic acid;manganese(2+);hydrochloride
CID 25264863
N-(2-methylpropyl)-N-(pyridin-2-ylmethyl)methanesulfonamide
CID 59341012
(2S)-2-[bis(pyridin-2-ylmethyl)amino]-N,N-bis(pyridin-2-ylmethyl)propanamide
CID 102088447
5-[bis(pyridin-2-ylmethyl)amino]hexanoic acid
CID 141092997
1-chloro-N-methyl-N-(pyridin-2-ylmethyl)methanesulfonamide
CID 63666756
N,N'-bis[(1S)-1-pyridin-2-ylethyl]-N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 101339503
N-methyl-3-methylsulfonyl-N-(pyridin-2-ylmethyl)butan-2-amine
CID 56790019
2-N,2-N-diethyl-1-N-(pyridin-2-ylmethyl)propane-1,2-diamine
CID 115581231

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-ethylsulfonyl-N-(pyridin-2-ylmethyl)propan-2-amine?
The IUPAC name of N-ethyl-1-ethylsulfonyl-N-(pyridin-2-ylmethyl)propan-2-amine (CID 71931375) is N-ethyl-1-ethylsulfonyl-N-(pyridin-2-ylmethyl)propan-2-amine.
What is the SMILES notation for N-ethyl-1-ethylsulfonyl-N-(pyridin-2-ylmethyl)propan-2-amine?
The canonical SMILES for N-ethyl-1-ethylsulfonyl-N-(pyridin-2-ylmethyl)propan-2-amine is CCN(Cc1ccccn1)C(C)CS(=O)(=O)CC.
What is the InChIKey of N-ethyl-1-ethylsulfonyl-N-(pyridin-2-ylmethyl)propan-2-amine?
The InChIKey is AVPQXPKWNNRKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-4-15(10-13-8-6-7-9-14-13)12(3)11-18(16,17)5-2/h6-9,12H,4-5,10-11H2,1-3H3.
What are the key properties of N-ethyl-1-ethylsulfonyl-N-(pyridin-2-ylmethyl)propan-2-amine?
N-ethyl-1-ethylsulfonyl-N-(pyridin-2-ylmethyl)propan-2-amine has a molecular weight of 270.40 g/mol, XLogP of 1.73, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-ethylsulfonyl-N-(pyridin-2-ylmethyl)propan-2-amine is sourced from PubChem (CID 71931375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).