formic acid;N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-methylsulfanylpropanamide

C13H26N2O4S — CID 154910365

IUPACformic acid;N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-methylsulfanylpropanamide
SMILESCSCCC(=O)NCCCN1CCC(O)CC1.O=CO
InChIInChI=1S/C12H24N2O2S.CH2O2/c1-17-10-5-12(16)13-6-2-7-14-8-3-11(15)4-9-14;2-1-3/h11,15H,2-10H2,1H3,(H,13,16);1H,(H,2,3)
InChIKeyIJDSOGAMDYQRAO-UHFFFAOYSA-N
MW306.43 g/mol
LogP0.40
Rot. Bonds7

About formic acid;N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-methylsulfanylpropanamide

formic acid;N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-methylsulfanylpropanamide (PubChem CID 154910365) has the molecular formula C13H26N2O4S and a molecular weight of 306.43 g/mol. Its IUPAC name is formic acid;N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-methylsulfanylpropanamide.

Molecular Properties

Compound Nameformic acid;N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-methylsulfanylpropanamide
PubChem CID154910365
Molecular FormulaC13H26N2O4S
Molecular Weight306.43 g/mol
Exact Mass306.16
IUPAC Nameformic acid;N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-methylsulfanylpropanamide
SMILESCSCCC(=O)NCCCN1CCC(O)CC1.O=CO
InChIInChI=1S/C12H24N2O2S.CH2O2/c1-17-10-5-12(16)13-6-2-7-14-8-3-11(15)4-9-14;2-1-3/h11,15H,2-10H2,1H3,(H,13,16);1H,(H,2,3)
InChIKeyIJDSOGAMDYQRAO-UHFFFAOYSA-N
XLogP0.40
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-methylpentanamide
CID 111429541
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(4-methylphenyl)sulfanylacetamide
CID 111429498
5-(4-hydroxypiperidin-1-yl)pentanehydrazide
CID 63571141
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 111434012
N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-4-methylsulfanylbutanamide
CID 111697205
N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-thiophen-3-ylpropanamide
CID 111429543
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 111433877
N-[3-[4-[3-(octadecanoylamino)propyl]piperazin-1-yl]propyl]octadecanamide
CID 54494521
2-(2,5-dimethylphenyl)sulfanyl-N-[3-(4-hydroxypiperidin-1-yl)propyl]acetamide
CID 111429425
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-methylpentanamide
CID 111434025
N-[2-(1-cyclopentylpiperidin-2-yl)ethyl]-3-methylsulfanylpropanamide;formic acid
CID 154909119
N-[3-(4-ethylpiperazin-1-yl)propyl]pentanamide
CID 144835640

Frequently Asked Questions

What is the IUPAC name of formic acid;N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-methylsulfanylpropanamide?
The IUPAC name of formic acid;N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-methylsulfanylpropanamide (CID 154910365) is formic acid;N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-methylsulfanylpropanamide.
What is the SMILES notation for formic acid;N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-methylsulfanylpropanamide?
The canonical SMILES for formic acid;N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-methylsulfanylpropanamide is CSCCC(=O)NCCCN1CCC(O)CC1.O=CO.
What is the InChIKey of formic acid;N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-methylsulfanylpropanamide?
The InChIKey is IJDSOGAMDYQRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S.CH2O2/c1-17-10-5-12(16)13-6-2-7-14-8-3-11(15)4-9-14;2-1-3/h11,15H,2-10H2,1H3,(H,13,16);1H,(H,2,3).
What are the key properties of formic acid;N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-methylsulfanylpropanamide?
formic acid;N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-methylsulfanylpropanamide has a molecular weight of 306.43 g/mol, XLogP of 0.40, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-methylsulfanylpropanamide is sourced from PubChem (CID 154910365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).