(2S)-2-methyl-2-morpholin-4-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]butan-1-amine

C17H26N4OS — CID 38066242

IUPAC(2S)-2-methyl-2-morpholin-4-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]butan-1-amine
SMILESCC[C@@](C)(CNCc1cn[nH]c1-c1cccs1)N1CCOCC1
InChIInChI=1S/C17H26N4OS/c1-3-17(2,21-6-8-22-9-7-21)13-18-11-14-12-19-20-16(14)15-5-4-10-23-15/h4-5,10,12,18H,3,6-9,11,13H2,1-2H3,(H,19,20)/t17-/m0/s1
InChIKeyLQIDUHCFSIWRRA-KRWDZBQOSA-N
MW334.49 g/mol
LogP2.73
Rot. Bonds7

About (2S)-2-methyl-2-morpholin-4-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]butan-1-amine

(2S)-2-methyl-2-morpholin-4-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]butan-1-amine (PubChem CID 38066242) has the molecular formula C17H26N4OS and a molecular weight of 334.49 g/mol. Its IUPAC name is (2S)-2-methyl-2-morpholin-4-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]butan-1-amine.

Molecular Properties

Compound Name(2S)-2-methyl-2-morpholin-4-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]butan-1-amine
PubChem CID38066242
Molecular FormulaC17H26N4OS
Molecular Weight334.49 g/mol
Exact Mass334.18
IUPAC Name(2S)-2-methyl-2-morpholin-4-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]butan-1-amine
SMILESCC[C@@](C)(CNCc1cn[nH]c1-c1cccs1)N1CCOCC1
InChIInChI=1S/C17H26N4OS/c1-3-17(2,21-6-8-22-9-7-21)13-18-11-14-12-19-20-16(14)15-5-4-10-23-15/h4-5,10,12,18H,3,6-9,11,13H2,1-2H3,(H,19,20)/t17-/m0/s1
InChIKeyLQIDUHCFSIWRRA-KRWDZBQOSA-N
XLogP2.73
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-2-morpholin-4-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]butan-1-amine?
The IUPAC name of (2S)-2-methyl-2-morpholin-4-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]butan-1-amine (CID 38066242) is (2S)-2-methyl-2-morpholin-4-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]butan-1-amine.
What is the SMILES notation for (2S)-2-methyl-2-morpholin-4-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]butan-1-amine?
The canonical SMILES for (2S)-2-methyl-2-morpholin-4-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]butan-1-amine is CC[C@@](C)(CNCc1cn[nH]c1-c1cccs1)N1CCOCC1.
What is the InChIKey of (2S)-2-methyl-2-morpholin-4-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]butan-1-amine?
The InChIKey is LQIDUHCFSIWRRA-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H26N4OS/c1-3-17(2,21-6-8-22-9-7-21)13-18-11-14-12-19-20-16(14)15-5-4-10-23-15/h4-5,10,12,18H,3,6-9,11,13H2,1-2H3,(H,19,20)/t17-/m0/s1.
What are the key properties of (2S)-2-methyl-2-morpholin-4-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]butan-1-amine?
(2S)-2-methyl-2-morpholin-4-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]butan-1-amine has a molecular weight of 334.49 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-2-morpholin-4-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]butan-1-amine is sourced from PubChem (CID 38066242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).