(1S)-1-[5-[propan-2-yl(thiophen-2-ylmethyl)amino]-2-pyridinyl]propan-1-ol

C16H22N2OS — CID 103938524

IUPAC(1S)-1-[5-[propan-2-yl(thiophen-2-ylmethyl)amino]-2-pyridinyl]propan-1-ol
SMILESCC[C@H](O)c1ccc(N(Cc2cccs2)C(C)C)cn1
InChIInChI=1S/C16H22N2OS/c1-4-16(19)15-8-7-13(10-17-15)18(12(2)3)11-14-6-5-9-20-14/h5-10,12,16,19H,4,11H2,1-3H3/t16-/m0/s1
InChIKeyINZAFEVBEGQWOJ-INIZCTEOSA-N
MW290.43 g/mol
LogP4.00
Rot. Bonds6

About (1S)-1-[5-[propan-2-yl(thiophen-2-ylmethyl)amino]-2-pyridinyl]propan-1-ol

(1S)-1-[5-[propan-2-yl(thiophen-2-ylmethyl)amino]-2-pyridinyl]propan-1-ol (PubChem CID 103938524) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is (1S)-1-[5-[propan-2-yl(thiophen-2-ylmethyl)amino]-2-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-[5-[propan-2-yl(thiophen-2-ylmethyl)amino]-2-pyridinyl]propan-1-ol
PubChem CID103938524
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name(1S)-1-[5-[propan-2-yl(thiophen-2-ylmethyl)amino]-2-pyridinyl]propan-1-ol
SMILESCC[C@H](O)c1ccc(N(Cc2cccs2)C(C)C)cn1
InChIInChI=1S/C16H22N2OS/c1-4-16(19)15-8-7-13(10-17-15)18(12(2)3)11-14-6-5-9-20-14/h5-10,12,16,19H,4,11H2,1-3H3/t16-/m0/s1
InChIKeyINZAFEVBEGQWOJ-INIZCTEOSA-N
XLogP4.00
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S)-1-[5-[propan-2-yl(thiophen-2-ylmethyl)amino]-2-pyridinyl]propan-1-ol with MolForge

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Related Compounds

1-[5-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-2-pyridinyl]propan-1-ol
CID 115940490
(1S)-1-[5-[propan-2-yl(propyl)amino]-2-pyridinyl]propan-1-ol
CID 103938356
2-(aminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-4-amine
CID 62286889
5-N-propan-2-yl-5-N-(thiophen-2-ylmethyl)pyridine-3,5-diamine
CID 104533407
4-[propan-2-yl(thiophen-2-ylmethyl)amino]benzaldehyde
CID 54946766
2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)pyrimidine-2,5-diamine
CID 54946553
4-[1-(ethylamino)ethyl]-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline
CID 61451157
N-methyl-6-[1-(methylamino)ethyl]-N-(1-thiophen-2-ylpropan-2-yl)pyridin-3-amine
CID 83127076
3-(aminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline
CID 102813686
6-[(1R)-1-aminopropyl]-N-methyl-N-(2-thiophen-2-ylethyl)pyridin-3-amine
CID 103937486
1-(5-fluoro-2-pyridinyl)-3-[methyl(thiophen-2-ylmethyl)amino]propan-1-ol
CID 83126443
6-(1-aminoethyl)-N-methyl-N-(2-thiophen-2-ylethyl)pyridin-3-amine
CID 83127479

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-[propan-2-yl(thiophen-2-ylmethyl)amino]-2-pyridinyl]propan-1-ol?
The IUPAC name of (1S)-1-[5-[propan-2-yl(thiophen-2-ylmethyl)amino]-2-pyridinyl]propan-1-ol (CID 103938524) is (1S)-1-[5-[propan-2-yl(thiophen-2-ylmethyl)amino]-2-pyridinyl]propan-1-ol.
What is the SMILES notation for (1S)-1-[5-[propan-2-yl(thiophen-2-ylmethyl)amino]-2-pyridinyl]propan-1-ol?
The canonical SMILES for (1S)-1-[5-[propan-2-yl(thiophen-2-ylmethyl)amino]-2-pyridinyl]propan-1-ol is CC[C@H](O)c1ccc(N(Cc2cccs2)C(C)C)cn1.
What is the InChIKey of (1S)-1-[5-[propan-2-yl(thiophen-2-ylmethyl)amino]-2-pyridinyl]propan-1-ol?
The InChIKey is INZAFEVBEGQWOJ-INIZCTEOSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-4-16(19)15-8-7-13(10-17-15)18(12(2)3)11-14-6-5-9-20-14/h5-10,12,16,19H,4,11H2,1-3H3/t16-/m0/s1.
What are the key properties of (1S)-1-[5-[propan-2-yl(thiophen-2-ylmethyl)amino]-2-pyridinyl]propan-1-ol?
(1S)-1-[5-[propan-2-yl(thiophen-2-ylmethyl)amino]-2-pyridinyl]propan-1-ol has a molecular weight of 290.43 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-[propan-2-yl(thiophen-2-ylmethyl)amino]-2-pyridinyl]propan-1-ol is sourced from PubChem (CID 103938524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).