(2R)-1-ethylsulfanyl-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-methylpropan-2-amine

C13H20N4S — CID 97160183

IUPAC(2R)-1-ethylsulfanyl-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-methylpropan-2-amine
SMILESCCSC[C@@H](C)N(C)Cc1cnc2cnccn12
InChIInChI=1S/C13H20N4S/c1-4-18-10-11(2)16(3)9-12-7-15-13-8-14-5-6-17(12)13/h5-8,11H,4,9-10H2,1-3H3/t11-/m1/s1
InChIKeyKJZFTZVOQUUNJO-LLVKDONJSA-N
MW264.40 g/mol
LogP2.30
Rot. Bonds6

About (2R)-1-ethylsulfanyl-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-methylpropan-2-amine

(2R)-1-ethylsulfanyl-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-methylpropan-2-amine (PubChem CID 97160183) has the molecular formula C13H20N4S and a molecular weight of 264.40 g/mol. Its IUPAC name is (2R)-1-ethylsulfanyl-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name(2R)-1-ethylsulfanyl-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-methylpropan-2-amine
PubChem CID97160183
Molecular FormulaC13H20N4S
Molecular Weight264.40 g/mol
Exact Mass264.14
IUPAC Name(2R)-1-ethylsulfanyl-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-methylpropan-2-amine
SMILESCCSC[C@@H](C)N(C)Cc1cnc2cnccn12
InChIInChI=1S/C13H20N4S/c1-4-18-10-11(2)16(3)9-12-7-15-13-8-14-5-6-17(12)13/h5-8,11H,4,9-10H2,1-3H3/t11-/m1/s1
InChIKeyKJZFTZVOQUUNJO-LLVKDONJSA-N
XLogP2.30
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-ethylsulfanyl-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-methylpropan-2-amine?
The IUPAC name of (2R)-1-ethylsulfanyl-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-methylpropan-2-amine (CID 97160183) is (2R)-1-ethylsulfanyl-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-methylpropan-2-amine.
What is the SMILES notation for (2R)-1-ethylsulfanyl-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-methylpropan-2-amine?
The canonical SMILES for (2R)-1-ethylsulfanyl-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-methylpropan-2-amine is CCSC[C@@H](C)N(C)Cc1cnc2cnccn12.
What is the InChIKey of (2R)-1-ethylsulfanyl-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-methylpropan-2-amine?
The InChIKey is KJZFTZVOQUUNJO-LLVKDONJSA-N. The full InChI is InChI=1S/C13H20N4S/c1-4-18-10-11(2)16(3)9-12-7-15-13-8-14-5-6-17(12)13/h5-8,11H,4,9-10H2,1-3H3/t11-/m1/s1.
What are the key properties of (2R)-1-ethylsulfanyl-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-methylpropan-2-amine?
(2R)-1-ethylsulfanyl-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-methylpropan-2-amine has a molecular weight of 264.40 g/mol, XLogP of 2.30, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-ethylsulfanyl-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-methylpropan-2-amine is sourced from PubChem (CID 97160183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).