4-methylsulfanylpiperidine-1-carboxamide

C7H14N2OS — CID 126974904

IUPAC4-methylsulfanylpiperidine-1-carboxamide
SMILESCSC1CCN(C(N)=O)CC1
InChIInChI=1S/C7H14N2OS/c1-11-6-2-4-9(5-3-6)7(8)10/h6H,2-5H2,1H3,(H2,8,10)
InChIKeyMNQFUFYQJQFOTE-UHFFFAOYSA-N
MW174.27 g/mol
LogP0.89
Rot. Bonds1

About 4-methylsulfanylpiperidine-1-carboxamide

4-methylsulfanylpiperidine-1-carboxamide (PubChem CID 126974904) has the molecular formula C7H14N2OS and a molecular weight of 174.27 g/mol. Its IUPAC name is 4-methylsulfanylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-methylsulfanylpiperidine-1-carboxamide
PubChem CID126974904
Molecular FormulaC7H14N2OS
Molecular Weight174.27 g/mol
Exact Mass174.08
IUPAC Name4-methylsulfanylpiperidine-1-carboxamide
SMILESCSC1CCN(C(N)=O)CC1
InChIInChI=1S/C7H14N2OS/c1-11-6-2-4-9(5-3-6)7(8)10/h6H,2-5H2,1H3,(H2,8,10)
InChIKeyMNQFUFYQJQFOTE-UHFFFAOYSA-N
XLogP0.89
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.27
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanylpiperidine-1-carboxamide?
The IUPAC name of 4-methylsulfanylpiperidine-1-carboxamide (CID 126974904) is 4-methylsulfanylpiperidine-1-carboxamide.
What is the SMILES notation for 4-methylsulfanylpiperidine-1-carboxamide?
The canonical SMILES for 4-methylsulfanylpiperidine-1-carboxamide is CSC1CCN(C(N)=O)CC1.
What is the InChIKey of 4-methylsulfanylpiperidine-1-carboxamide?
The InChIKey is MNQFUFYQJQFOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2OS/c1-11-6-2-4-9(5-3-6)7(8)10/h6H,2-5H2,1H3,(H2,8,10).
What are the key properties of 4-methylsulfanylpiperidine-1-carboxamide?
4-methylsulfanylpiperidine-1-carboxamide has a molecular weight of 174.27 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanylpiperidine-1-carboxamide is sourced from PubChem (CID 126974904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).