N-(5-methylsulfanyl-2-pyridinyl)-3-propan-2-yloxypropanamide

C12H18N2O2S — CID 143937565

IUPACN-(5-methylsulfanyl-2-pyridinyl)-3-propan-2-yloxypropanamide
SMILESCSc1ccc(NC(=O)CCOC(C)C)nc1
InChIInChI=1S/C12H18N2O2S/c1-9(2)16-7-6-12(15)14-11-5-4-10(17-3)8-13-11/h4-5,8-9H,6-7H2,1-3H3,(H,13,14,15)
InChIKeyMPUUBNOLSCYGKH-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.56
Rot. Bonds6

About N-(5-methylsulfanyl-2-pyridinyl)-3-propan-2-yloxypropanamide

N-(5-methylsulfanyl-2-pyridinyl)-3-propan-2-yloxypropanamide (PubChem CID 143937565) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is N-(5-methylsulfanyl-2-pyridinyl)-3-propan-2-yloxypropanamide.

Molecular Properties

Compound NameN-(5-methylsulfanyl-2-pyridinyl)-3-propan-2-yloxypropanamide
PubChem CID143937565
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC NameN-(5-methylsulfanyl-2-pyridinyl)-3-propan-2-yloxypropanamide
SMILESCSc1ccc(NC(=O)CCOC(C)C)nc1
InChIInChI=1S/C12H18N2O2S/c1-9(2)16-7-6-12(15)14-11-5-4-10(17-3)8-13-11/h4-5,8-9H,6-7H2,1-3H3,(H,13,14,15)
InChIKeyMPUUBNOLSCYGKH-UHFFFAOYSA-N
XLogP2.56
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-(5-methyl-2-pyridinyl)propanamide
CID 127118084
N-[4-(2-methoxyethoxy)phenyl]-3-propan-2-yloxypropanamide
CID 86981512
N-methyl-5-methylsulfanylpyridin-2-amine
CID 68974266
2-ethylsulfonyl-N-(5-methylsulfanyl-2-pyridinyl)benzamide
CID 154748748
N-(5-amino-2-methylphenyl)-3-propan-2-yloxypropanamide;hydrochloride
CID 120568425
N-(2-methylpentan-3-yl)-5-methylsulfanylpyridin-2-amine
CID 115921450
5-methylsulfanyl-N-(1-methylsulfonylpropan-2-yl)pyridin-2-amine
CID 115921453
N-(5-cyano-2-pyridinyl)-4-methylpentanamide
CID 55209976
6-(1,3-benzoxazol-2-ylsulfanyl)-N-(5-methylsulfanyl-2-pyridinyl)hexanamide
CID 69278120
2-[2-fluoro-4-(3-propan-2-yloxypropanoylamino)phenyl]acetic acid
CID 122110010
N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-3-propan-2-yloxypropanamide
CID 87018905
N-[3-(3-methylimidazol-4-yl)-1,7-naphthyridin-6-yl]-3-propan-2-yloxypropanamide
CID 138588532

Frequently Asked Questions

What is the IUPAC name of N-(5-methylsulfanyl-2-pyridinyl)-3-propan-2-yloxypropanamide?
The IUPAC name of N-(5-methylsulfanyl-2-pyridinyl)-3-propan-2-yloxypropanamide (CID 143937565) is N-(5-methylsulfanyl-2-pyridinyl)-3-propan-2-yloxypropanamide.
What is the SMILES notation for N-(5-methylsulfanyl-2-pyridinyl)-3-propan-2-yloxypropanamide?
The canonical SMILES for N-(5-methylsulfanyl-2-pyridinyl)-3-propan-2-yloxypropanamide is CSc1ccc(NC(=O)CCOC(C)C)nc1.
What is the InChIKey of N-(5-methylsulfanyl-2-pyridinyl)-3-propan-2-yloxypropanamide?
The InChIKey is MPUUBNOLSCYGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-9(2)16-7-6-12(15)14-11-5-4-10(17-3)8-13-11/h4-5,8-9H,6-7H2,1-3H3,(H,13,14,15).
What are the key properties of N-(5-methylsulfanyl-2-pyridinyl)-3-propan-2-yloxypropanamide?
N-(5-methylsulfanyl-2-pyridinyl)-3-propan-2-yloxypropanamide has a molecular weight of 254.35 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylsulfanyl-2-pyridinyl)-3-propan-2-yloxypropanamide is sourced from PubChem (CID 143937565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).