N-methyl-N-piperidin-1-ylmethanethioamide

C7H14N2S — CID 88613393

IUPACN-methyl-N-piperidin-1-ylmethanethioamide
SMILESCN(C=S)N1CCCCC1
InChIInChI=1S/C7H14N2S/c1-8(7-10)9-5-3-2-4-6-9/h7H,2-6H2,1H3
InChIKeyUDKKHJVSYCTWNI-UHFFFAOYSA-N
MW158.27 g/mol
LogP1.28
Rot. Bonds2

About N-methyl-N-piperidin-1-ylmethanethioamide

N-methyl-N-piperidin-1-ylmethanethioamide (PubChem CID 88613393) has the molecular formula C7H14N2S and a molecular weight of 158.27 g/mol. Its IUPAC name is N-methyl-N-piperidin-1-ylmethanethioamide.

Molecular Properties

Compound NameN-methyl-N-piperidin-1-ylmethanethioamide
PubChem CID88613393
Molecular FormulaC7H14N2S
Molecular Weight158.27 g/mol
Exact Mass158.09
IUPAC NameN-methyl-N-piperidin-1-ylmethanethioamide
SMILESCN(C=S)N1CCCCC1
InChIInChI=1S/C7H14N2S/c1-8(7-10)9-5-3-2-4-6-9/h7H,2-6H2,1H3
InChIKeyUDKKHJVSYCTWNI-UHFFFAOYSA-N
XLogP1.28
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 N-methyl-N-piperidin-1-ylmethanethioamide?
The IUPAC name of N-methyl-N-piperidin-1-ylmethanethioamide (CID 88613393) is N-methyl-N-piperidin-1-ylmethanethioamide.
What is the SMILES notation for N-methyl-N-piperidin-1-ylmethanethioamide?
The canonical SMILES for N-methyl-N-piperidin-1-ylmethanethioamide is CN(C=S)N1CCCCC1.
What is the InChIKey of N-methyl-N-piperidin-1-ylmethanethioamide?
The InChIKey is UDKKHJVSYCTWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2S/c1-8(7-10)9-5-3-2-4-6-9/h7H,2-6H2,1H3.
What are the key properties of N-methyl-N-piperidin-1-ylmethanethioamide?
N-methyl-N-piperidin-1-ylmethanethioamide has a molecular weight of 158.27 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-piperidin-1-ylmethanethioamide is sourced from PubChem (CID 88613393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).