2-(1-methylpyrazol-4-yl)-2-thiomorpholin-4-ylethanamine

C10H18N4S — CID 43210632

IUPAC2-(1-methylpyrazol-4-yl)-2-thiomorpholin-4-ylethanamine
SMILESCn1cc(C(CN)N2CCSCC2)cn1
InChIInChI=1S/C10H18N4S/c1-13-8-9(7-12-13)10(6-11)14-2-4-15-5-3-14/h7-8,10H,2-6,11H2,1H3
InChIKeyDGMORNNLSJGJDW-UHFFFAOYSA-N
MW226.35 g/mol
LogP0.47
Rot. Bonds3

About 2-(1-methylpyrazol-4-yl)-2-thiomorpholin-4-ylethanamine

2-(1-methylpyrazol-4-yl)-2-thiomorpholin-4-ylethanamine (PubChem CID 43210632) has the molecular formula C10H18N4S and a molecular weight of 226.35 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-2-thiomorpholin-4-ylethanamine.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-2-thiomorpholin-4-ylethanamine
PubChem CID43210632
Molecular FormulaC10H18N4S
Molecular Weight226.35 g/mol
Exact Mass226.13
IUPAC Name2-(1-methylpyrazol-4-yl)-2-thiomorpholin-4-ylethanamine
SMILESCn1cc(C(CN)N2CCSCC2)cn1
InChIInChI=1S/C10H18N4S/c1-13-8-9(7-12-13)10(6-11)14-2-4-15-5-3-14/h7-8,10H,2-6,11H2,1H3
InChIKeyDGMORNNLSJGJDW-UHFFFAOYSA-N
XLogP0.47
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-2-thiomorpholin-4-ylethanamine?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-2-thiomorpholin-4-ylethanamine (CID 43210632) is 2-(1-methylpyrazol-4-yl)-2-thiomorpholin-4-ylethanamine.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-2-thiomorpholin-4-ylethanamine?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-2-thiomorpholin-4-ylethanamine is Cn1cc(C(CN)N2CCSCC2)cn1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-2-thiomorpholin-4-ylethanamine?
The InChIKey is DGMORNNLSJGJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S/c1-13-8-9(7-12-13)10(6-11)14-2-4-15-5-3-14/h7-8,10H,2-6,11H2,1H3.
What are the key properties of 2-(1-methylpyrazol-4-yl)-2-thiomorpholin-4-ylethanamine?
2-(1-methylpyrazol-4-yl)-2-thiomorpholin-4-ylethanamine has a molecular weight of 226.35 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)-2-thiomorpholin-4-ylethanamine is sourced from PubChem (CID 43210632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).