N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiomorpholine-3-carboxamide

C10H16N4OS — CID 82909419

IUPACN-[(5-methyl-1H-pyrazol-4-yl)methyl]thiomorpholine-3-carboxamide
SMILESCc1[nH]ncc1CNC(=O)C1CSCCN1
InChIInChI=1S/C10H16N4OS/c1-7-8(5-13-14-7)4-12-10(15)9-6-16-3-2-11-9/h5,9,11H,2-4,6H2,1H3,(H,12,15)(H,13,14)
InChIKeyOOYXGAXGNKLJKJ-UHFFFAOYSA-N
MW240.33 g/mol
LogP0.04
Rot. Bonds3

About N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiomorpholine-3-carboxamide

N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiomorpholine-3-carboxamide (PubChem CID 82909419) has the molecular formula C10H16N4OS and a molecular weight of 240.33 g/mol. Its IUPAC name is N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]thiomorpholine-3-carboxamide
PubChem CID82909419
Molecular FormulaC10H16N4OS
Molecular Weight240.33 g/mol
Exact Mass240.10
IUPAC NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]thiomorpholine-3-carboxamide
SMILESCc1[nH]ncc1CNC(=O)C1CSCCN1
InChIInChI=1S/C10H16N4OS/c1-7-8(5-13-14-7)4-12-10(15)9-6-16-3-2-11-9/h5,9,11H,2-4,6H2,1H3,(H,12,15)(H,13,14)
InChIKeyOOYXGAXGNKLJKJ-UHFFFAOYSA-N
XLogP0.04
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiomorpholine-3-carboxamide?
The IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiomorpholine-3-carboxamide (CID 82909419) is N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiomorpholine-3-carboxamide.
What is the SMILES notation for N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiomorpholine-3-carboxamide?
The canonical SMILES for N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiomorpholine-3-carboxamide is Cc1[nH]ncc1CNC(=O)C1CSCCN1.
What is the InChIKey of N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiomorpholine-3-carboxamide?
The InChIKey is OOYXGAXGNKLJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS/c1-7-8(5-13-14-7)4-12-10(15)9-6-16-3-2-11-9/h5,9,11H,2-4,6H2,1H3,(H,12,15)(H,13,14).
What are the key properties of N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiomorpholine-3-carboxamide?
N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiomorpholine-3-carboxamide has a molecular weight of 240.33 g/mol, XLogP of 0.04, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiomorpholine-3-carboxamide is sourced from PubChem (CID 82909419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).