1-methylsulfonyl-N-[(1R)-1-pyridin-3-ylethyl]propan-2-amine

C11H18N2O2S — CID 81405088

IUPAC1-methylsulfonyl-N-[(1R)-1-pyridin-3-ylethyl]propan-2-amine
SMILESCC(CS(C)(=O)=O)N[C@H](C)c1cccnc1
InChIInChI=1S/C11H18N2O2S/c1-9(8-16(3,14)15)13-10(2)11-5-4-6-12-7-11/h4-7,9-10,13H,8H2,1-3H3/t9?,10-/m1/s1
InChIKeyYPFTUXCAFPTBNE-QVDQXJPCSA-N
MW242.34 g/mol
LogP1.17
Rot. Bonds5

About 1-methylsulfonyl-N-[(1R)-1-pyridin-3-ylethyl]propan-2-amine

1-methylsulfonyl-N-[(1R)-1-pyridin-3-ylethyl]propan-2-amine (PubChem CID 81405088) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 1-methylsulfonyl-N-[(1R)-1-pyridin-3-ylethyl]propan-2-amine.

Molecular Properties

Compound Name1-methylsulfonyl-N-[(1R)-1-pyridin-3-ylethyl]propan-2-amine
PubChem CID81405088
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name1-methylsulfonyl-N-[(1R)-1-pyridin-3-ylethyl]propan-2-amine
SMILESCC(CS(C)(=O)=O)N[C@H](C)c1cccnc1
InChIInChI=1S/C11H18N2O2S/c1-9(8-16(3,14)15)13-10(2)11-5-4-6-12-7-11/h4-7,9-10,13H,8H2,1-3H3/t9?,10-/m1/s1
InChIKeyYPFTUXCAFPTBNE-QVDQXJPCSA-N
XLogP1.17
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methylsulfonyl-N-(1-pyridin-3-ylethyl)propan-2-amine
CID 64631940
1-ethylsulfonyl-N-[(1S)-1-pyridin-3-ylethyl]propan-2-amine
CID 113350765
4-methyl-N-(1-pyridin-3-ylethyl)pentan-2-amine
CID 43203538
N-(1-pyridin-3-ylethyl)heptan-2-amine
CID 43203632
N-[(1R)-1-pyridin-3-ylethyl]hex-5-en-2-amine
CID 104583908
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
N-[(1S)-1-pyridin-3-ylethyl]undecan-6-amine
CID 81407378
(4S)-4-[[(1S)-1-pyridin-3-ylethyl]amino]pentan-1-ol
CID 97051673
4-phenyl-N-[(1S)-1-pyridin-3-ylethyl]butan-2-amine
CID 79690841
N-pentan-3-yl-2-[[(1R)-1-pyridin-3-ylethyl]amino]propanamide
CID 81404259

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-[(1R)-1-pyridin-3-ylethyl]propan-2-amine?
The IUPAC name of 1-methylsulfonyl-N-[(1R)-1-pyridin-3-ylethyl]propan-2-amine (CID 81405088) is 1-methylsulfonyl-N-[(1R)-1-pyridin-3-ylethyl]propan-2-amine.
What is the SMILES notation for 1-methylsulfonyl-N-[(1R)-1-pyridin-3-ylethyl]propan-2-amine?
The canonical SMILES for 1-methylsulfonyl-N-[(1R)-1-pyridin-3-ylethyl]propan-2-amine is CC(CS(C)(=O)=O)N[C@H](C)c1cccnc1.
What is the InChIKey of 1-methylsulfonyl-N-[(1R)-1-pyridin-3-ylethyl]propan-2-amine?
The InChIKey is YPFTUXCAFPTBNE-QVDQXJPCSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-9(8-16(3,14)15)13-10(2)11-5-4-6-12-7-11/h4-7,9-10,13H,8H2,1-3H3/t9?,10-/m1/s1.
What are the key properties of 1-methylsulfonyl-N-[(1R)-1-pyridin-3-ylethyl]propan-2-amine?
1-methylsulfonyl-N-[(1R)-1-pyridin-3-ylethyl]propan-2-amine has a molecular weight of 242.34 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-[(1R)-1-pyridin-3-ylethyl]propan-2-amine is sourced from PubChem (CID 81405088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).