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

C10H18N4S — CID 115291117

IUPAC1-(1-methylpyrazol-4-yl)-2-thiomorpholin-4-ylethanamine
SMILESCn1cc(C(N)CN2CCSCC2)cn1
InChIInChI=1S/C10H18N4S/c1-13-7-9(6-12-13)10(11)8-14-2-4-15-5-3-14/h6-7,10H,2-5,8,11H2,1H3
InChIKeyYNBZHNLYZMXNJO-UHFFFAOYSA-N
MW226.35 g/mol
LogP0.47
Rot. Bonds3

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

1-(1-methylpyrazol-4-yl)-2-thiomorpholin-4-ylethanamine (PubChem CID 115291117) has the molecular formula C10H18N4S and a molecular weight of 226.35 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)-2-thiomorpholin-4-ylethanamine.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)-2-thiomorpholin-4-ylethanamine
PubChem CID115291117
Molecular FormulaC10H18N4S
Molecular Weight226.35 g/mol
Exact Mass226.13
IUPAC Name1-(1-methylpyrazol-4-yl)-2-thiomorpholin-4-ylethanamine
SMILESCn1cc(C(N)CN2CCSCC2)cn1
InChIInChI=1S/C10H18N4S/c1-13-7-9(6-12-13)10(11)8-14-2-4-15-5-3-14/h6-7,10H,2-5,8,11H2,1H3
InChIKeyYNBZHNLYZMXNJO-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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Related Compounds

2-(4-ethylpiperazin-1-yl)-1-(1-methylpyrazol-4-yl)ethanamine
CID 113280007
2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(1-methylpyrazol-4-yl)ethanamine
CID 113280017
2-(4-ethylpiperidin-1-yl)-1-(1-methylpyrazol-4-yl)ethanamine
CID 115291197
2-(3,3-dimethylpyrrolidin-1-yl)-1-(1-methylpyrazol-4-yl)ethanamine
CID 115291360
1-(1-methylpyrazol-4-yl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanamine
CID 113280074
(1R)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 93094324
2-(2,2-dimethylmorpholin-4-yl)-1-(1-methylpyrazol-4-yl)ethanamine
CID 115291150
(2S)-2-amino-2-(1-methylpyrazol-4-yl)ethanol
CID 93471722
2-(2-ethylmorpholin-4-yl)-1-(1-methylpyrazol-4-yl)ethanamine
CID 115291142
(3R)-3-amino-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 94420132
2-(3-ethoxypiperidin-1-yl)-1-(1-methylpyrazol-4-yl)ethanamine
CID 115291229
(3R)-3-amino-3-(1-methylpyrazol-4-yl)propanoic acid
CID 28600208

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)-2-thiomorpholin-4-ylethanamine?
The IUPAC name of 1-(1-methylpyrazol-4-yl)-2-thiomorpholin-4-ylethanamine (CID 115291117) is 1-(1-methylpyrazol-4-yl)-2-thiomorpholin-4-ylethanamine.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)-2-thiomorpholin-4-ylethanamine?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)-2-thiomorpholin-4-ylethanamine is Cn1cc(C(N)CN2CCSCC2)cn1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)-2-thiomorpholin-4-ylethanamine?
The InChIKey is YNBZHNLYZMXNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S/c1-13-7-9(6-12-13)10(11)8-14-2-4-15-5-3-14/h6-7,10H,2-5,8,11H2,1H3.
What are the key properties of 1-(1-methylpyrazol-4-yl)-2-thiomorpholin-4-ylethanamine?
1-(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 1-(1-methylpyrazol-4-yl)-2-thiomorpholin-4-ylethanamine is sourced from PubChem (CID 115291117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).