(2R)-3-methyl-2-(2-methylpyrazol-3-yl)-N-(thiophen-3-ylmethyl)butan-1-amine

C14H21N3S — CID 124848303

IUPAC(2R)-3-methyl-2-(2-methylpyrazol-3-yl)-N-(thiophen-3-ylmethyl)butan-1-amine
SMILESCC(C)[C@H](CNCc1ccsc1)c1ccnn1C
InChIInChI=1S/C14H21N3S/c1-11(2)13(14-4-6-16-17(14)3)9-15-8-12-5-7-18-10-12/h4-7,10-11,13,15H,8-9H2,1-3H3/t13-/m0/s1
InChIKeyMOVZXPUXPSNKOA-ZDUSSCGKSA-N
MW263.41 g/mol
LogP3.01
Rot. Bonds6

About (2R)-3-methyl-2-(2-methylpyrazol-3-yl)-N-(thiophen-3-ylmethyl)butan-1-amine

(2R)-3-methyl-2-(2-methylpyrazol-3-yl)-N-(thiophen-3-ylmethyl)butan-1-amine (PubChem CID 124848303) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is (2R)-3-methyl-2-(2-methylpyrazol-3-yl)-N-(thiophen-3-ylmethyl)butan-1-amine.

Molecular Properties

Compound Name(2R)-3-methyl-2-(2-methylpyrazol-3-yl)-N-(thiophen-3-ylmethyl)butan-1-amine
PubChem CID124848303
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC Name(2R)-3-methyl-2-(2-methylpyrazol-3-yl)-N-(thiophen-3-ylmethyl)butan-1-amine
SMILESCC(C)[C@H](CNCc1ccsc1)c1ccnn1C
InChIInChI=1S/C14H21N3S/c1-11(2)13(14-4-6-16-17(14)3)9-15-8-12-5-7-18-10-12/h4-7,10-11,13,15H,8-9H2,1-3H3/t13-/m0/s1
InChIKeyMOVZXPUXPSNKOA-ZDUSSCGKSA-N
XLogP3.01
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-(2-methylpyrazol-3-yl)-N-(thiophen-3-ylmethyl)butan-1-amine?
The IUPAC name of (2R)-3-methyl-2-(2-methylpyrazol-3-yl)-N-(thiophen-3-ylmethyl)butan-1-amine (CID 124848303) is (2R)-3-methyl-2-(2-methylpyrazol-3-yl)-N-(thiophen-3-ylmethyl)butan-1-amine.
What is the SMILES notation for (2R)-3-methyl-2-(2-methylpyrazol-3-yl)-N-(thiophen-3-ylmethyl)butan-1-amine?
The canonical SMILES for (2R)-3-methyl-2-(2-methylpyrazol-3-yl)-N-(thiophen-3-ylmethyl)butan-1-amine is CC(C)[C@H](CNCc1ccsc1)c1ccnn1C.
What is the InChIKey of (2R)-3-methyl-2-(2-methylpyrazol-3-yl)-N-(thiophen-3-ylmethyl)butan-1-amine?
The InChIKey is MOVZXPUXPSNKOA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H21N3S/c1-11(2)13(14-4-6-16-17(14)3)9-15-8-12-5-7-18-10-12/h4-7,10-11,13,15H,8-9H2,1-3H3/t13-/m0/s1.
What are the key properties of (2R)-3-methyl-2-(2-methylpyrazol-3-yl)-N-(thiophen-3-ylmethyl)butan-1-amine?
(2R)-3-methyl-2-(2-methylpyrazol-3-yl)-N-(thiophen-3-ylmethyl)butan-1-amine has a molecular weight of 263.41 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-(2-methylpyrazol-3-yl)-N-(thiophen-3-ylmethyl)butan-1-amine is sourced from PubChem (CID 124848303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).