N-[(1-methylpiperidin-3-yl)methyl]-2-propylsulfanylacetamide

C12H24N2OS — CID 56712573

IUPACN-[(1-methylpiperidin-3-yl)methyl]-2-propylsulfanylacetamide
SMILESCCCSCC(=O)NCC1CCCN(C)C1
InChIInChI=1S/C12H24N2OS/c1-3-7-16-10-12(15)13-8-11-5-4-6-14(2)9-11/h11H,3-10H2,1-2H3,(H,13,15)
InChIKeyKVTQSCFTOQPAHP-UHFFFAOYSA-N
MW244.40 g/mol
LogP1.59
Rot. Bonds6

About N-[(1-methylpiperidin-3-yl)methyl]-2-propylsulfanylacetamide

N-[(1-methylpiperidin-3-yl)methyl]-2-propylsulfanylacetamide (PubChem CID 56712573) has the molecular formula C12H24N2OS and a molecular weight of 244.40 g/mol. Its IUPAC name is N-[(1-methylpiperidin-3-yl)methyl]-2-propylsulfanylacetamide.

Molecular Properties

Compound NameN-[(1-methylpiperidin-3-yl)methyl]-2-propylsulfanylacetamide
PubChem CID56712573
Molecular FormulaC12H24N2OS
Molecular Weight244.40 g/mol
Exact Mass244.16
IUPAC NameN-[(1-methylpiperidin-3-yl)methyl]-2-propylsulfanylacetamide
SMILESCCCSCC(=O)NCC1CCCN(C)C1
InChIInChI=1S/C12H24N2OS/c1-3-7-16-10-12(15)13-8-11-5-4-6-14(2)9-11/h11H,3-10H2,1-2H3,(H,13,15)
InChIKeyKVTQSCFTOQPAHP-UHFFFAOYSA-N
XLogP1.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Methylsulfanyl-1-(4-pyrrolidin-3-ylpiperidin-1-yl)ethanone
CID 110197844
N-[1-(2-tert-butylsulfanylacetyl)piperidin-4-yl]acetamide
CID 60607432
N-[3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanylpropyl]acetamide
CID 71864577
N-methyl-3-(1-thia-4-azaspiro[5.5]undecan-4-yl)propanamide
CID 71976333
N-methyl-2-piperidin-4-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 113609721
2-Piperidin-4-ylsulfanyl-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 114626871
N-butyl-2-piperidin-4-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 114626989
2-piperidin-4-ylsulfanyl-N-propyl-N-(2,2,2-trifluoroethyl)acetamide
CID 114626990
N-(2-methylpropyl)-2-piperidin-4-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 114627000
N-ethyl-2-piperidin-4-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 114627355
N-methyl-2-piperidin-4-ylsulfanyl-N-(3,3,3-trifluoropropyl)acetamide
CID 114627713
N-(2,2-difluoroethyl)-N-methyl-2-piperidin-4-ylsulfanylacetamide
CID 114628097

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpiperidin-3-yl)methyl]-2-propylsulfanylacetamide?
The IUPAC name of N-[(1-methylpiperidin-3-yl)methyl]-2-propylsulfanylacetamide (CID 56712573) is N-[(1-methylpiperidin-3-yl)methyl]-2-propylsulfanylacetamide.
What is the SMILES notation for N-[(1-methylpiperidin-3-yl)methyl]-2-propylsulfanylacetamide?
The canonical SMILES for N-[(1-methylpiperidin-3-yl)methyl]-2-propylsulfanylacetamide is CCCSCC(=O)NCC1CCCN(C)C1.
What is the InChIKey of N-[(1-methylpiperidin-3-yl)methyl]-2-propylsulfanylacetamide?
The InChIKey is KVTQSCFTOQPAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2OS/c1-3-7-16-10-12(15)13-8-11-5-4-6-14(2)9-11/h11H,3-10H2,1-2H3,(H,13,15).
What are the key properties of N-[(1-methylpiperidin-3-yl)methyl]-2-propylsulfanylacetamide?
N-[(1-methylpiperidin-3-yl)methyl]-2-propylsulfanylacetamide has a molecular weight of 244.40 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpiperidin-3-yl)methyl]-2-propylsulfanylacetamide is sourced from PubChem (CID 56712573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).