6-[(1S)-1-aminoethyl]-N-methyl-N-(thiolan-3-yl)pyridin-3-amine

C12H19N3S — CID 83122062

IUPAC6-[(1S)-1-aminoethyl]-N-methyl-N-(thiolan-3-yl)pyridin-3-amine
SMILESC[C@H](N)c1ccc(N(C)C2CCSC2)cn1
InChIInChI=1S/C12H19N3S/c1-9(13)12-4-3-10(7-14-12)15(2)11-5-6-16-8-11/h3-4,7,9,11H,5-6,8,13H2,1-2H3/t9-,11?/m0/s1
InChIKeyOZNDJOPNGKVSKS-FTNKSUMCSA-N
MW237.37 g/mol
LogP2.04
Rot. Bonds3

About 6-[(1S)-1-aminoethyl]-N-methyl-N-(thiolan-3-yl)pyridin-3-amine

6-[(1S)-1-aminoethyl]-N-methyl-N-(thiolan-3-yl)pyridin-3-amine (PubChem CID 83122062) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is 6-[(1S)-1-aminoethyl]-N-methyl-N-(thiolan-3-yl)pyridin-3-amine.

Molecular Properties

Compound Name6-[(1S)-1-aminoethyl]-N-methyl-N-(thiolan-3-yl)pyridin-3-amine
PubChem CID83122062
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC Name6-[(1S)-1-aminoethyl]-N-methyl-N-(thiolan-3-yl)pyridin-3-amine
SMILESC[C@H](N)c1ccc(N(C)C2CCSC2)cn1
InChIInChI=1S/C12H19N3S/c1-9(13)12-4-3-10(7-14-12)15(2)11-5-6-16-8-11/h3-4,7,9,11H,5-6,8,13H2,1-2H3/t9-,11?/m0/s1
InChIKeyOZNDJOPNGKVSKS-FTNKSUMCSA-N
XLogP2.04
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(1-aminoethyl)-N-cyclopropyl-N-methylpyridin-3-amine
CID 83122472
(1S)-1-[5-[methyl(thiolan-3-yl)amino]-2-pyridinyl]propan-1-ol
CID 113355290
6-[(1S)-1-aminoethyl]-N-methyl-N-(4-methylcyclohexyl)pyridin-3-amine
CID 83123084
6-(1-aminoethyl)-N-(1-cyclopropylethyl)-N-methylpyridin-3-amine
CID 83122563
6-[(1R)-1-aminoethyl]-N,N-dimethylpyridin-3-amine
CID 83122052
4-N-methyl-4-N-[(3R)-thiolan-3-yl]benzene-1,4-diamine
CID 93278897
1-[5-[cyclopentyl(methyl)amino]-2-pyridinyl]ethanol
CID 83131595
6-[(1R)-1-aminoethyl]-N,N-bis(cyclopropylmethyl)pyridin-3-amine
CID 83127549
6-(1-aminoethyl)-N-(cyclopentylmethyl)-N-methylpyridin-3-amine
CID 83127943
6-[(1S)-1-aminoethyl]-N-cyclopropyl-N-(2-methoxyethyl)pyridin-3-amine
CID 83122840
2-N-methyl-2-N-(thiolan-3-yl)pyrimidine-2,5-diamine
CID 61145624
5-(2-aminopropyl)-N,3-dimethyl-N-(thiolan-3-yl)pyridin-2-amine
CID 80633664

Frequently Asked Questions

What is the IUPAC name of 6-[(1S)-1-aminoethyl]-N-methyl-N-(thiolan-3-yl)pyridin-3-amine?
The IUPAC name of 6-[(1S)-1-aminoethyl]-N-methyl-N-(thiolan-3-yl)pyridin-3-amine (CID 83122062) is 6-[(1S)-1-aminoethyl]-N-methyl-N-(thiolan-3-yl)pyridin-3-amine.
What is the SMILES notation for 6-[(1S)-1-aminoethyl]-N-methyl-N-(thiolan-3-yl)pyridin-3-amine?
The canonical SMILES for 6-[(1S)-1-aminoethyl]-N-methyl-N-(thiolan-3-yl)pyridin-3-amine is C[C@H](N)c1ccc(N(C)C2CCSC2)cn1.
What is the InChIKey of 6-[(1S)-1-aminoethyl]-N-methyl-N-(thiolan-3-yl)pyridin-3-amine?
The InChIKey is OZNDJOPNGKVSKS-FTNKSUMCSA-N. The full InChI is InChI=1S/C12H19N3S/c1-9(13)12-4-3-10(7-14-12)15(2)11-5-6-16-8-11/h3-4,7,9,11H,5-6,8,13H2,1-2H3/t9-,11?/m0/s1.
What are the key properties of 6-[(1S)-1-aminoethyl]-N-methyl-N-(thiolan-3-yl)pyridin-3-amine?
6-[(1S)-1-aminoethyl]-N-methyl-N-(thiolan-3-yl)pyridin-3-amine has a molecular weight of 237.37 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1S)-1-aminoethyl]-N-methyl-N-(thiolan-3-yl)pyridin-3-amine is sourced from PubChem (CID 83122062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).