N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-piperidin-4-yloxypropanamide

C13H26N2O3S — CID 106247600

IUPACN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-piperidin-4-yloxypropanamide
SMILESCSCC(C)(O)CNC(=O)CCOC1CCNCC1
InChIInChI=1S/C13H26N2O3S/c1-13(17,10-19-2)9-15-12(16)5-8-18-11-3-6-14-7-4-11/h11,14,17H,3-10H2,1-2H3,(H,15,16)
InChIKeyKOSQXZWPEHATJT-UHFFFAOYSA-N
MW290.43 g/mol
LogP0.38
Rot. Bonds8

About N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-piperidin-4-yloxypropanamide

N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-piperidin-4-yloxypropanamide (PubChem CID 106247600) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-piperidin-4-yloxypropanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-piperidin-4-yloxypropanamide
PubChem CID106247600
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC NameN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-piperidin-4-yloxypropanamide
SMILESCSCC(C)(O)CNC(=O)CCOC1CCNCC1
InChIInChI=1S/C13H26N2O3S/c1-13(17,10-19-2)9-15-12(16)5-8-18-11-3-6-14-7-4-11/h11,14,17H,3-10H2,1-2H3,(H,15,16)
InChIKeyKOSQXZWPEHATJT-UHFFFAOYSA-N
XLogP0.38
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-Aminoethoxy)-1-(4-methylsulfanylpiperidin-1-yl)propan-1-one
CID 156464306
2-tert-butylsulfanyl-N-(2-piperidin-4-yloxyethyl)acetamide
CID 55251411
3-methylsulfanyl-N-(3-piperidin-4-yloxypropyl)propanamide
CID 63869450
3-methylsulfanyl-N-(2-piperidin-4-yloxyethyl)propanamide
CID 63870280
2-methylsulfanyl-N-(2-piperidin-4-yloxyethyl)acetamide
CID 63871260
2-tert-butylsulfanyl-N-(3-piperidin-4-yloxypropyl)acetamide
CID 63871450
N-(3-methylsulfanylpropyl)-3-piperidin-4-yloxypropanamide
CID 63957357
N-(2-methyl-3-methylsulfanylpropyl)-3-piperidin-4-yloxypropanamide
CID 63958659
N-(2-methylsulfanylethyl)-3-piperidin-4-yloxypropanamide
CID 63959291
N-(2-hydroxy-2-methylbutyl)-3-piperidin-4-yloxypropanamide
CID 65106450
N-(2-hydroxy-2-methylpropyl)-3-piperidin-4-yloxypropanamide
CID 65107091
N-(2-methylsulfanylethyl)-2-morpholin-2-ylacetamide
CID 66428331

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-piperidin-4-yloxypropanamide?
The IUPAC name of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-piperidin-4-yloxypropanamide (CID 106247600) is N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-piperidin-4-yloxypropanamide.
What is the SMILES notation for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-piperidin-4-yloxypropanamide?
The canonical SMILES for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-piperidin-4-yloxypropanamide is CSCC(C)(O)CNC(=O)CCOC1CCNCC1.
What is the InChIKey of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-piperidin-4-yloxypropanamide?
The InChIKey is KOSQXZWPEHATJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-13(17,10-19-2)9-15-12(16)5-8-18-11-3-6-14-7-4-11/h11,14,17H,3-10H2,1-2H3,(H,15,16).
What are the key properties of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-piperidin-4-yloxypropanamide?
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-piperidin-4-yloxypropanamide has a molecular weight of 290.43 g/mol, XLogP of 0.38, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-piperidin-4-yloxypropanamide is sourced from PubChem (CID 106247600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).