1-(3-amino-3-sulfanylidenepropanoyl)-N-methylpiperidine-4-carboxamide

C10H17N3O2S — CID 61442712

IUPAC1-(3-amino-3-sulfanylidenepropanoyl)-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(C(=O)CC(N)=S)CC1
InChIInChI=1S/C10H17N3O2S/c1-12-10(15)7-2-4-13(5-3-7)9(14)6-8(11)16/h7H,2-6H2,1H3,(H2,11,16)(H,12,15)
InChIKeyFUZWMGSBBLHTLY-UHFFFAOYSA-N
MW243.33 g/mol
LogP-0.35
Rot. Bonds3

About 1-(3-amino-3-sulfanylidenepropanoyl)-N-methylpiperidine-4-carboxamide

1-(3-amino-3-sulfanylidenepropanoyl)-N-methylpiperidine-4-carboxamide (PubChem CID 61442712) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 1-(3-amino-3-sulfanylidenepropanoyl)-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-amino-3-sulfanylidenepropanoyl)-N-methylpiperidine-4-carboxamide
PubChem CID61442712
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name1-(3-amino-3-sulfanylidenepropanoyl)-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(C(=O)CC(N)=S)CC1
InChIInChI=1S/C10H17N3O2S/c1-12-10(15)7-2-4-13(5-3-7)9(14)6-8(11)16/h7H,2-6H2,1H3,(H2,11,16)(H,12,15)
InChIKeyFUZWMGSBBLHTLY-UHFFFAOYSA-N
XLogP-0.35
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-3-sulfanylidenepropanoyl)-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-(3-amino-3-sulfanylidenepropanoyl)-N-methylpiperidine-4-carboxamide (CID 61442712) is 1-(3-amino-3-sulfanylidenepropanoyl)-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(3-amino-3-sulfanylidenepropanoyl)-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-(3-amino-3-sulfanylidenepropanoyl)-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(C(=O)CC(N)=S)CC1.
What is the InChIKey of 1-(3-amino-3-sulfanylidenepropanoyl)-N-methylpiperidine-4-carboxamide?
The InChIKey is FUZWMGSBBLHTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-12-10(15)7-2-4-13(5-3-7)9(14)6-8(11)16/h7H,2-6H2,1H3,(H2,11,16)(H,12,15).
What are the key properties of 1-(3-amino-3-sulfanylidenepropanoyl)-N-methylpiperidine-4-carboxamide?
1-(3-amino-3-sulfanylidenepropanoyl)-N-methylpiperidine-4-carboxamide has a molecular weight of 243.33 g/mol, XLogP of -0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-3-sulfanylidenepropanoyl)-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 61442712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).