2-piperidin-1-yl-6-sulfanylidene-1H-pyrimidine-5-carboxamide

C10H14N4OS — CID 54493420

IUPAC2-piperidin-1-yl-6-sulfanylidene-1H-pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(N2CCCCC2)[nH]c1=S
InChIInChI=1S/C10H14N4OS/c11-8(15)7-6-12-10(13-9(7)16)14-4-2-1-3-5-14/h6H,1-5H2,(H2,11,15)(H,12,13,16)
InChIKeyXXJPCBNIBZJVEU-UHFFFAOYSA-N
MW238.32 g/mol
LogP1.23
Rot. Bonds2

About 2-piperidin-1-yl-6-sulfanylidene-1H-pyrimidine-5-carboxamide

2-piperidin-1-yl-6-sulfanylidene-1H-pyrimidine-5-carboxamide (PubChem CID 54493420) has the molecular formula C10H14N4OS and a molecular weight of 238.32 g/mol. Its IUPAC name is 2-piperidin-1-yl-6-sulfanylidene-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-piperidin-1-yl-6-sulfanylidene-1H-pyrimidine-5-carboxamide
PubChem CID54493420
Molecular FormulaC10H14N4OS
Molecular Weight238.32 g/mol
Exact Mass238.09
IUPAC Name2-piperidin-1-yl-6-sulfanylidene-1H-pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(N2CCCCC2)[nH]c1=S
InChIInChI=1S/C10H14N4OS/c11-8(15)7-6-12-10(13-9(7)16)14-4-2-1-3-5-14/h6H,1-5H2,(H2,11,15)(H,12,13,16)
InChIKeyXXJPCBNIBZJVEU-UHFFFAOYSA-N
XLogP1.23
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2-piperidin-1-yl-6-sulfanylidene-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-piperidin-1-yl-6-sulfanylidene-1H-pyrimidine-5-carboxamide (CID 54493420) is 2-piperidin-1-yl-6-sulfanylidene-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-piperidin-1-yl-6-sulfanylidene-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-piperidin-1-yl-6-sulfanylidene-1H-pyrimidine-5-carboxamide is NC(=O)c1cnc(N2CCCCC2)[nH]c1=S.
What is the InChIKey of 2-piperidin-1-yl-6-sulfanylidene-1H-pyrimidine-5-carboxamide?
The InChIKey is XXJPCBNIBZJVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4OS/c11-8(15)7-6-12-10(13-9(7)16)14-4-2-1-3-5-14/h6H,1-5H2,(H2,11,15)(H,12,13,16).
What are the key properties of 2-piperidin-1-yl-6-sulfanylidene-1H-pyrimidine-5-carboxamide?
2-piperidin-1-yl-6-sulfanylidene-1H-pyrimidine-5-carboxamide has a molecular weight of 238.32 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-6-sulfanylidene-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 54493420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).