2-[[6-[(1R)-1-hydroxypropyl]-3-pyridinyl]sulfanyl]-N,N-dimethylacetamide

C12H18N2O2S — CID 114234906

IUPAC2-[[6-[(1R)-1-hydroxypropyl]-3-pyridinyl]sulfanyl]-N,N-dimethylacetamide
SMILESCC[C@@H](O)c1ccc(SCC(=O)N(C)C)cn1
InChIInChI=1S/C12H18N2O2S/c1-4-11(15)10-6-5-9(7-13-10)17-8-12(16)14(2)3/h5-7,11,15H,4,8H2,1-3H3/t11-/m1/s1
InChIKeyQQKVXJHKFBSXDV-LLVKDONJSA-N
MW254.35 g/mol
LogP1.71
Rot. Bonds5

About 2-[[6-[(1R)-1-hydroxypropyl]-3-pyridinyl]sulfanyl]-N,N-dimethylacetamide

2-[[6-[(1R)-1-hydroxypropyl]-3-pyridinyl]sulfanyl]-N,N-dimethylacetamide (PubChem CID 114234906) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 2-[[6-[(1R)-1-hydroxypropyl]-3-pyridinyl]sulfanyl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[6-[(1R)-1-hydroxypropyl]-3-pyridinyl]sulfanyl]-N,N-dimethylacetamide
PubChem CID114234906
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name2-[[6-[(1R)-1-hydroxypropyl]-3-pyridinyl]sulfanyl]-N,N-dimethylacetamide
SMILESCC[C@@H](O)c1ccc(SCC(=O)N(C)C)cn1
InChIInChI=1S/C12H18N2O2S/c1-4-11(15)10-6-5-9(7-13-10)17-8-12(16)14(2)3/h5-7,11,15H,4,8H2,1-3H3/t11-/m1/s1
InChIKeyQQKVXJHKFBSXDV-LLVKDONJSA-N
XLogP1.71
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[6-[(1R)-1-hydroxypropyl]-3-pyridinyl]sulfanyl]-N,N-dimethylacetamide with MolForge

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Related Compounds

(1S)-1-(5-tert-butylsulfanyl-2-pyridinyl)propan-1-ol
CID 103939309
(1S)-1-(5-benzylsulfanyl-2-pyridinyl)propan-1-ol
CID 113355448
(1S)-1-[5-(4-bromophenyl)sulfanyl-2-pyridinyl]propan-1-ol
CID 113355459
(1S)-1-[5-(4-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-ol
CID 113355452
2-[(6-amino-3-pyridinyl)sulfanyl]-N-ethyl-N-methylacetamide
CID 43309763
(1S)-1-[5-(5-methylpyrimidin-2-yl)sulfanyl-2-pyridinyl]propan-1-ol
CID 113355485
(1R)-1-[5-[(3-methylphenyl)methylsulfanyl]-2-pyridinyl]propan-1-ol
CID 103939422
N,N-dimethyl-2-phenylsulfanylacetamide
CID 10921439
(1R)-1-[5-[cyclopropyl(methyl)amino]-2-pyridinyl]propan-1-ol
CID 103938348
1-[5-[methyl(propyl)amino]-2-pyridinyl]propan-1-ol
CID 112585264
1-[5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-pyridinyl]propan-1-ol
CID 112586531
2-[[6-[(1S)-1-hydroxypropyl]-3-pyridinyl]sulfanyl]-1H-pyrimidin-6-one
CID 113355458

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[(1R)-1-hydroxypropyl]-3-pyridinyl]sulfanyl]-N,N-dimethylacetamide?
The IUPAC name of 2-[[6-[(1R)-1-hydroxypropyl]-3-pyridinyl]sulfanyl]-N,N-dimethylacetamide (CID 114234906) is 2-[[6-[(1R)-1-hydroxypropyl]-3-pyridinyl]sulfanyl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[6-[(1R)-1-hydroxypropyl]-3-pyridinyl]sulfanyl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[6-[(1R)-1-hydroxypropyl]-3-pyridinyl]sulfanyl]-N,N-dimethylacetamide is CC[C@@H](O)c1ccc(SCC(=O)N(C)C)cn1.
What is the InChIKey of 2-[[6-[(1R)-1-hydroxypropyl]-3-pyridinyl]sulfanyl]-N,N-dimethylacetamide?
The InChIKey is QQKVXJHKFBSXDV-LLVKDONJSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-4-11(15)10-6-5-9(7-13-10)17-8-12(16)14(2)3/h5-7,11,15H,4,8H2,1-3H3/t11-/m1/s1.
What are the key properties of 2-[[6-[(1R)-1-hydroxypropyl]-3-pyridinyl]sulfanyl]-N,N-dimethylacetamide?
2-[[6-[(1R)-1-hydroxypropyl]-3-pyridinyl]sulfanyl]-N,N-dimethylacetamide has a molecular weight of 254.35 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[(1R)-1-hydroxypropyl]-3-pyridinyl]sulfanyl]-N,N-dimethylacetamide is sourced from PubChem (CID 114234906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).