2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(2,6-dimethylthiomorpholin-4-yl)ethanamine

C16H30N4S — CID 83090809

IUPAC2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(2,6-dimethylthiomorpholin-4-yl)ethanamine
SMILESCC1CN(C(CN)c2cn(C)nc2C(C)(C)C)CC(C)S1
InChIInChI=1S/C16H30N4S/c1-11-8-20(9-12(2)21-11)14(7-17)13-10-19(6)18-15(13)16(3,4)5/h10-12,14H,7-9,17H2,1-6H3
InChIKeyCGQUUVUPSMNIAY-UHFFFAOYSA-N
MW310.51 g/mol
LogP2.54
Rot. Bonds3

About 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(2,6-dimethylthiomorpholin-4-yl)ethanamine

2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(2,6-dimethylthiomorpholin-4-yl)ethanamine (PubChem CID 83090809) has the molecular formula C16H30N4S and a molecular weight of 310.51 g/mol. Its IUPAC name is 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(2,6-dimethylthiomorpholin-4-yl)ethanamine.

Molecular Properties

Compound Name2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(2,6-dimethylthiomorpholin-4-yl)ethanamine
PubChem CID83090809
Molecular FormulaC16H30N4S
Molecular Weight310.51 g/mol
Exact Mass310.22
IUPAC Name2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(2,6-dimethylthiomorpholin-4-yl)ethanamine
SMILESCC1CN(C(CN)c2cn(C)nc2C(C)(C)C)CC(C)S1
InChIInChI=1S/C16H30N4S/c1-11-8-20(9-12(2)21-11)14(7-17)13-10-19(6)18-15(13)16(3,4)5/h10-12,14H,7-9,17H2,1-6H3
InChIKeyCGQUUVUPSMNIAY-UHFFFAOYSA-N
XLogP2.54
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.51
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-3-N,3-N-dimethylbutane-1,3-diamine
CID 164643179
2-Methyl-5-[(3-methyl-4-piperidin-4-ylpyrazol-1-yl)methyl]-1,3,4-thiadiazole
CID 177663903
1-(3-tert-butyl-1-methylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 83089187
1-(3-tert-butyl-1-methylpyrazol-4-yl)-N-(2,2-difluoroethyl)ethane-1,2-diamine
CID 83089686
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 103887676
(2S)-1-[2-[2-(2-fluoro-2-methylpropyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]ethylsulfanyl]propan-2-amine
CID 144237660
N'-methyl-N'-[(1-methyl-3-propylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 118971389
2-[4-[3,4-di(propan-2-yl)pyrazol-1-yl]piperidin-1-yl]-N,N-dimethylethanamine
CID 122472066
2-[4-(4-ethyl-3-propan-2-ylpyrazol-1-yl)piperidin-1-yl]-N,N-dimethylethanamine
CID 130236119
2-(Thian-4-yl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine
CID 142533294
1-[(4-Ethyl-1-propan-2-ylpyrazol-3-yl)methyl]piperazine
CID 146647527
1-[[1,4-Di(propan-2-yl)pyrazol-3-yl]methyl]piperazine
CID 146909687

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(2,6-dimethylthiomorpholin-4-yl)ethanamine?
The IUPAC name of 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(2,6-dimethylthiomorpholin-4-yl)ethanamine (CID 83090809) is 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(2,6-dimethylthiomorpholin-4-yl)ethanamine.
What is the SMILES notation for 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(2,6-dimethylthiomorpholin-4-yl)ethanamine?
The canonical SMILES for 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(2,6-dimethylthiomorpholin-4-yl)ethanamine is CC1CN(C(CN)c2cn(C)nc2C(C)(C)C)CC(C)S1.
What is the InChIKey of 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(2,6-dimethylthiomorpholin-4-yl)ethanamine?
The InChIKey is CGQUUVUPSMNIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4S/c1-11-8-20(9-12(2)21-11)14(7-17)13-10-19(6)18-15(13)16(3,4)5/h10-12,14H,7-9,17H2,1-6H3.
What are the key properties of 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(2,6-dimethylthiomorpholin-4-yl)ethanamine?
2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(2,6-dimethylthiomorpholin-4-yl)ethanamine has a molecular weight of 310.51 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(2,6-dimethylthiomorpholin-4-yl)ethanamine is sourced from PubChem (CID 83090809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).