1-(5-amino-5-sulfanylidenepentyl)-N-methylpiperidine-4-carboxamide

C12H23N3OS — CID 54967141

IUPAC1-(5-amino-5-sulfanylidenepentyl)-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(CCCCC(N)=S)CC1
InChIInChI=1S/C12H23N3OS/c1-14-12(16)10-5-8-15(9-6-10)7-3-2-4-11(13)17/h10H,2-9H2,1H3,(H2,13,17)(H,14,16)
InChIKeyOTAGLUUDFFJWRM-UHFFFAOYSA-N
MW257.40 g/mol
LogP0.90
Rot. Bonds6

About 1-(5-amino-5-sulfanylidenepentyl)-N-methylpiperidine-4-carboxamide

1-(5-amino-5-sulfanylidenepentyl)-N-methylpiperidine-4-carboxamide (PubChem CID 54967141) has the molecular formula C12H23N3OS and a molecular weight of 257.40 g/mol. Its IUPAC name is 1-(5-amino-5-sulfanylidenepentyl)-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-amino-5-sulfanylidenepentyl)-N-methylpiperidine-4-carboxamide
PubChem CID54967141
Molecular FormulaC12H23N3OS
Molecular Weight257.40 g/mol
Exact Mass257.16
IUPAC Name1-(5-amino-5-sulfanylidenepentyl)-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(CCCCC(N)=S)CC1
InChIInChI=1S/C12H23N3OS/c1-14-12(16)10-5-8-15(9-6-10)7-3-2-4-11(13)17/h10H,2-9H2,1H3,(H2,13,17)(H,14,16)
InChIKeyOTAGLUUDFFJWRM-UHFFFAOYSA-N
XLogP0.90
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-hydrazinyl-4-oxobutyl)-N-methylpiperidine-4-carboxamide
CID 63584988
1-(2-hydroxyethyl)-N-methylpiperidine-4-carboxamide
CID 130917589
1-(4-cyanobutyl)-N-methylpiperidine-4-carboxamide
CID 55136373
ethyl 3-[4-(methylcarbamoyl)piperidin-1-yl]propanoate
CID 60705415
1-(2-ethoxyethyl)-N-methylpiperidine-4-carboxamide
CID 134055126
ethane;1-(2-methoxyethyl)-N-methylpiperidine-4-carboxamide
CID 143678079
5-[4-[(dimethylamino)methyl]piperidin-1-yl]pentanethioamide
CID 54985924
N,1-dimethylpiperidine-4-carboxamide;ethane
CID 156719814
4-pyrrolidin-1-ylbutanethioamide
CID 18941013
1-(2-aminopropyl)-N-methylpiperidine-4-carboxamide
CID 102688944
4-(4-acetylpiperazin-1-yl)butanethioamide
CID 24700662
N-methyl-1-(3-methyl-2-oxobutyl)piperidine-4-carboxamide
CID 79396383

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-5-sulfanylidenepentyl)-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-(5-amino-5-sulfanylidenepentyl)-N-methylpiperidine-4-carboxamide (CID 54967141) is 1-(5-amino-5-sulfanylidenepentyl)-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(5-amino-5-sulfanylidenepentyl)-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-(5-amino-5-sulfanylidenepentyl)-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(CCCCC(N)=S)CC1.
What is the InChIKey of 1-(5-amino-5-sulfanylidenepentyl)-N-methylpiperidine-4-carboxamide?
The InChIKey is OTAGLUUDFFJWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3OS/c1-14-12(16)10-5-8-15(9-6-10)7-3-2-4-11(13)17/h10H,2-9H2,1H3,(H2,13,17)(H,14,16).
What are the key properties of 1-(5-amino-5-sulfanylidenepentyl)-N-methylpiperidine-4-carboxamide?
1-(5-amino-5-sulfanylidenepentyl)-N-methylpiperidine-4-carboxamide has a molecular weight of 257.40 g/mol, XLogP of 0.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-5-sulfanylidenepentyl)-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 54967141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).