1-ethylsulfonyl-N-[(1S)-1-pyridin-3-ylethyl]propan-2-amine

C12H20N2O2S — CID 113350765

IUPAC1-ethylsulfonyl-N-[(1S)-1-pyridin-3-ylethyl]propan-2-amine
SMILESCCS(=O)(=O)CC(C)N[C@@H](C)c1cccnc1
InChIInChI=1S/C12H20N2O2S/c1-4-17(15,16)9-10(2)14-11(3)12-6-5-7-13-8-12/h5-8,10-11,14H,4,9H2,1-3H3/t10?,11-/m0/s1
InChIKeyWOYCSLFCMYDCLU-DTIOYNMSSA-N
MW256.37 g/mol
LogP1.56
Rot. Bonds6

About 1-ethylsulfonyl-N-[(1S)-1-pyridin-3-ylethyl]propan-2-amine

1-ethylsulfonyl-N-[(1S)-1-pyridin-3-ylethyl]propan-2-amine (PubChem CID 113350765) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 1-ethylsulfonyl-N-[(1S)-1-pyridin-3-ylethyl]propan-2-amine.

Molecular Properties

Compound Name1-ethylsulfonyl-N-[(1S)-1-pyridin-3-ylethyl]propan-2-amine
PubChem CID113350765
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name1-ethylsulfonyl-N-[(1S)-1-pyridin-3-ylethyl]propan-2-amine
SMILESCCS(=O)(=O)CC(C)N[C@@H](C)c1cccnc1
InChIInChI=1S/C12H20N2O2S/c1-4-17(15,16)9-10(2)14-11(3)12-6-5-7-13-8-12/h5-8,10-11,14H,4,9H2,1-3H3/t10?,11-/m0/s1
InChIKeyWOYCSLFCMYDCLU-DTIOYNMSSA-N
XLogP1.56
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methylsulfonyl-N-[(1R)-1-pyridin-3-ylethyl]propan-2-amine
CID 81405088
1-methylsulfonyl-N-(1-pyridin-3-ylethyl)propan-2-amine
CID 64631940
N-(1-pyridin-3-ylethyl)heptan-2-amine
CID 43203632
4-methyl-N-(1-pyridin-3-ylethyl)pentan-2-amine
CID 43203538
N-[(1S)-1-pyridin-3-ylethyl]undecan-6-amine
CID 81407378
N-pentan-3-yl-2-[[(1R)-1-pyridin-3-ylethyl]amino]propanamide
CID 81404259
1-phenyl-N-[(1R)-1-pyridin-3-ylethyl]propan-2-amine
CID 81407650
methyl 3-(1-pyridin-3-ylethylamino)butanoate
CID 43537085
(1S)-1-phenyl-N-[(1S)-1-pyridin-3-ylethyl]ethanamine
CID 11413502
(4S)-4-[[(1S)-1-pyridin-3-ylethyl]amino]pentan-1-ol
CID 97051673
5-methyl-N-(1-pyridin-3-ylethyl)heptan-3-amine
CID 43203612
1-ethylsulfonyl-N-[(1R)-1-(3-methylphenyl)ethyl]propan-2-amine
CID 104867052

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-N-[(1S)-1-pyridin-3-ylethyl]propan-2-amine?
The IUPAC name of 1-ethylsulfonyl-N-[(1S)-1-pyridin-3-ylethyl]propan-2-amine (CID 113350765) is 1-ethylsulfonyl-N-[(1S)-1-pyridin-3-ylethyl]propan-2-amine.
What is the SMILES notation for 1-ethylsulfonyl-N-[(1S)-1-pyridin-3-ylethyl]propan-2-amine?
The canonical SMILES for 1-ethylsulfonyl-N-[(1S)-1-pyridin-3-ylethyl]propan-2-amine is CCS(=O)(=O)CC(C)N[C@@H](C)c1cccnc1.
What is the InChIKey of 1-ethylsulfonyl-N-[(1S)-1-pyridin-3-ylethyl]propan-2-amine?
The InChIKey is WOYCSLFCMYDCLU-DTIOYNMSSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-4-17(15,16)9-10(2)14-11(3)12-6-5-7-13-8-12/h5-8,10-11,14H,4,9H2,1-3H3/t10?,11-/m0/s1.
What are the key properties of 1-ethylsulfonyl-N-[(1S)-1-pyridin-3-ylethyl]propan-2-amine?
1-ethylsulfonyl-N-[(1S)-1-pyridin-3-ylethyl]propan-2-amine has a molecular weight of 256.37 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-N-[(1S)-1-pyridin-3-ylethyl]propan-2-amine is sourced from PubChem (CID 113350765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).