N-methylsulfanyl-2-piperidin-4-ylacetamide

C8H16N2OS — CID 145013243

IUPACN-methylsulfanyl-2-piperidin-4-ylacetamide
SMILESCSNC(=O)CC1CCNCC1
InChIInChI=1S/C8H16N2OS/c1-12-10-8(11)6-7-2-4-9-5-3-7/h7,9H,2-6H2,1H3,(H,10,11)
InChIKeyPNFGQDLYLKFSRP-UHFFFAOYSA-N
MW188.30 g/mol
LogP0.77
Rot. Bonds3

About N-methylsulfanyl-2-piperidin-4-ylacetamide

N-methylsulfanyl-2-piperidin-4-ylacetamide (PubChem CID 145013243) has the molecular formula C8H16N2OS and a molecular weight of 188.30 g/mol. Its IUPAC name is N-methylsulfanyl-2-piperidin-4-ylacetamide.

Molecular Properties

Compound NameN-methylsulfanyl-2-piperidin-4-ylacetamide
PubChem CID145013243
Molecular FormulaC8H16N2OS
Molecular Weight188.30 g/mol
Exact Mass188.10
IUPAC NameN-methylsulfanyl-2-piperidin-4-ylacetamide
SMILESCSNC(=O)CC1CCNCC1
InChIInChI=1S/C8H16N2OS/c1-12-10-8(11)6-7-2-4-9-5-3-7/h7,9H,2-6H2,1H3,(H,10,11)
InChIKeyPNFGQDLYLKFSRP-UHFFFAOYSA-N
XLogP0.77
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.30
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(Piperidin-4-yl)acetamide
CID 22064934
N-methyl-2-(piperidin-4-yl)acetamide
CID 20569899
N,N-Dimethyl-2-(piperidin-4-yl)acetamide--hydrogen chloride (1/1)
CID 54759134
N,N-dimethyl-2-(piperidin-4-yl)acetamide
CID 23195148
N-Methyl-2-(piperidin-4-yl)acetamide--hydrogen chloride (1/1)
CID 44120457
N-methyl-2-(1-propylsulfonylpiperidin-4-yl)acetamide
CID 71984695
1-Methyl-4-[(methylamino)methyl]piperidin-2-one
CID 83694709
2-(3-fluoropiperidin-4-yl)-N,N-dimethylacetamide
CID 177322611
N-methyl-2-{1-[3-(methylthio)butyl]piperidin-4-yl}acetamide
CID 56722681
2-Methyl-2-(piperidin-4-YL)propanamide
CID 11194582
2-(4-Methylpiperidin-4-yl)acetamide
CID 17793772
2-Methyl-3-piperidin-4-ylpropanamide
CID 17979181

Frequently Asked Questions

What is the IUPAC name of N-methylsulfanyl-2-piperidin-4-ylacetamide?
The IUPAC name of N-methylsulfanyl-2-piperidin-4-ylacetamide (CID 145013243) is N-methylsulfanyl-2-piperidin-4-ylacetamide.
What is the SMILES notation for N-methylsulfanyl-2-piperidin-4-ylacetamide?
The canonical SMILES for N-methylsulfanyl-2-piperidin-4-ylacetamide is CSNC(=O)CC1CCNCC1.
What is the InChIKey of N-methylsulfanyl-2-piperidin-4-ylacetamide?
The InChIKey is PNFGQDLYLKFSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2OS/c1-12-10-8(11)6-7-2-4-9-5-3-7/h7,9H,2-6H2,1H3,(H,10,11).
What are the key properties of N-methylsulfanyl-2-piperidin-4-ylacetamide?
N-methylsulfanyl-2-piperidin-4-ylacetamide has a molecular weight of 188.30 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylsulfanyl-2-piperidin-4-ylacetamide is sourced from PubChem (CID 145013243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).